SCHEMBL17169727

SCHEMBL17169727

CC(C)CCOCCOC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 6/20 0.37
TSHR P16473 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 3/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL863125 0.89 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TP53HIF1A
Diethylene Glycol Diisobutanoate SCHEMBL9561713 0.89 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL863288 0.89 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL7637824 0.89 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL2213077 0.89 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL863128 0.89 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL351059 0.86 CA1 (0.48) TDP1CA1CA12CA2CA9
SCHEMBL1869451 0.86 CA1 (0.48) TDP1CA1CA12CA2CA9
SCHEMBL28501703 0.83 ALDH1A1 (0.56) TDP1CA1CA12CA2CA9
SCHEMBL11373897 0.83 ALDH1A1 (0.56) TDP1CA1CA12CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use YALE UNIVERSITY (US) 2023-12-05 US disclosed
US-20230330102-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE GENENTECH, INC. 2023-10-19 US disclosed
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS GENENTECHT, INC. (US) 2023-08-03 US disclosed
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-11666581-B2 PROTAC antibody conjugates and methods of use GENENTECH, INC. (US) 2023-06-06 US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-20230167450-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-06-01 US disclosed
US-20180147202-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-05-31 US disclosed
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-03-15 US disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 US disclosed
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2017-02-09 US disclosed
US-20170008904-A1 MDM2-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2017-01-12 US disclosed
US-20160272639-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2016-09-22 US disclosed
US-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2016-07-28 US disclosed
US-20160058872-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2016-03-03 US disclosed
US-20160045607-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2016-02-18 US disclosed
US-20150291562-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2015-10-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (19 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230330102-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE PSMA3, PSMA6, PSMA2 TDP1 4175/4885CA1 2800/4885CA12 1280/4885
US-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ESRRA, MDM2 TDP1 3884/4885CA1 2519/4885CA12 2693/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 TDP1 2849/4885CA1 982/4885CA12 2628/4885
US-20170008904-A1 MDM2-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, XIAP, TP53 TDP1 1412/4885CA1 2367/4885CA12 3836/4885
US-20160058872-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N TDP1 1896/4885CA1 539/4885CA12 2354/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 TDP1 985/4885CA1 2572/4885CA12 4488/4885
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 TDP1 2059/4885CA1 1679/4885CA12 1766/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA TDP1 3660/4885CA1 2519/4885CA12 2708/4885
US-20180147202-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE TBK1, TBKBP1, TNKS TDP1 680/4885CA1 4427/4885CA12 4758/4885
US-20150291562-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N TDP1 1896/4885CA1 539/4885CA12 2354/4885
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS TEAD1, TEAD2, TEAD4 TDP1 361/4885CA1 4225/4885CA12 3879/4885
US-20160272639-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP TDP1 3568/4885CA1 2530/4885CA12 3306/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN TDP1 561/4885CA1 2817/4885CA12 4120/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL TDP1 2137/4885CA1 2650/4885CA12 3916/4885
US-11666581-B2 PROTAC antibody conjugates and methods of use PSMA3, PSMA6, PSMA2 TDP1 4175/4885CA1 2800/4885CA12 1280/4885
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE XIAP, BIRC3, BIRC2 TDP1 1228/4885CA1 704/4885CA12 3104/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 TDP1 2216/4885CA1 4742/4885CA12 4705/4885
US-20160045607-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE GPER1, PSMA3, ESR2 TDP1 4625/4885CA1 2496/4885CA12 3552/4885
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use CRBN, MDM2, UBE2N TDP1 1896/4885CA1 539/4885CA12 2354/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.