SCHEMBL9004580

SCHEMBL9004580

C=CC(=O)N(CC)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PSMB5 P28074 3/20 0.33
LMNA P02545 2/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MLYCD O95822 1/20 0.30
DPP4 P27487 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL867543 0.89 ZDHHC20 (0.37) ZDHHC20ZDHHC2ALDH1A1TSHRTHRA
SCHEMBL14795021 0.84 ZDHHC20 (0.36) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
SCHEMBL14880 0.82
SCHEMBL13813189 0.82 ZDHHC20 (0.37) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
SCHEMBL3478503 0.82 ALDH1A1 (0.41) ZDHHC20ZDHHC2ALDH1A1THRATHRB
SCHEMBL9004572 0.80 ZDHHC20 (0.39) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
Ammonia Solution, Strong SCHEMBL28481040 0.80 ZDHHC20 (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
SCHEMBL2004205 0.78 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRPSMB5
SCHEMBL6361450 0.76 ALDH1A1 (0.32) ALDH1A1TSHRTHRATHRB
SCHEMBL14354688 0.76 ZDHHC20 (0.33) ZDHHC20ZDHHC2PSMB5MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 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 (16 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 ZDHHC20 958/4885ZDHHC2 905/4885ALDH1A1 684/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ZDHHC20 1528/4885ZDHHC2 816/4885ALDH1A1 2792/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ZDHHC20 1457/4885ZDHHC2 1872/4885ALDH1A1 1195/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ZDHHC20 1003/4885ZDHHC2 1199/4885ALDH1A1 261/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ZDHHC20 690/4885ZDHHC2 886/4885ALDH1A1 1344/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS ZDHHC20 1528/4885ZDHHC2 816/4885ALDH1A1 2792/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ZDHHC20 690/4885ZDHHC2 886/4885ALDH1A1 1344/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ZDHHC20 958/4885ZDHHC2 905/4885ALDH1A1 684/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ZDHHC20 958/4885ZDHHC2 905/4885ALDH1A1 684/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS ZDHHC20 1528/4885ZDHHC2 816/4885ALDH1A1 2792/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ZDHHC20 2150/4885ZDHHC2 2325/4885ALDH1A1 2583/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ZDHHC20 690/4885ZDHHC2 886/4885ALDH1A1 1344/4885
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ZDHHC20 958/4885ZDHHC2 905/4885ALDH1A1 684/4885
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR ZDHHC20 2162/4885ZDHHC2 2028/4885ALDH1A1 3496/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ZDHHC20 690/4885ZDHHC2 886/4885ALDH1A1 1344/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ZDHHC20 690/4885ZDHHC2 886/4885ALDH1A1 1344/4885

“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.