SCHEMBL6468241

SCHEMBL6468241

CCc1ccc(OC(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ACACB O00763 12/20 0.45
ACACA Q13085 7/20 0.45
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MLNR O43193 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNA7 P36544 1/20 0.38
P2RX3 P56373 1/20 0.38

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
SCHEMBL20245192 0.85 ACACB (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL31143209 0.83 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL3939368 0.83 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL29796918 0.83 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL16647726 0.83 DAO (0.49) ACACBKDM4EL3MBTL1
SCHEMBL19121107 0.83 KDM4E (0.39) ALDH1A1ACACBACACACYP2D6KDM4E
SCHEMBL31475048 0.83 ACACB (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL21503513 0.83 ACACB (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL21994583 0.83 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL30873233 0.83 DAO (0.49) ACACBKDM4EL3MBTL1

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 38 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-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
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2022-07-14 US disclosed
EP-3950685-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF Guangzhou Baiyunshan Pharmaceutical Holdings Co., Ltd. Baiyunshan Pharmaceutical General Factory (CN) 2022-02-09 EP disclosed
WO-2012139891-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
WO-2012123312-A1 PYRIDO[3,4-B]PYRAZINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-09-20 WO disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-8039638-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 US disclosed
US-8039638-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 US disclosed
US-20100069353-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
US-20100069353-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
WO-2008067644-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 WO disclosed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US disclosed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 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 (10 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 ALDH1A1 3004/4885ACACB 1652/4885ACACA 763/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885ACACB 2983/4885ACACA 3645/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ALDH1A1 2211/4885ACACB 3092/4885ACACA 2745/4885
US-20100069353-A1 INHIBITORS OF HIV REPLICATION RTF2, REV1, CCNT1 ALDH1A1 3455/4885ACACB 1410/4885ACACA 1470/4885
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ALDH1A1 2149/4885ACACB 761/4885ACACA 1493/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885ACACB 97/4885ACACA 83/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN ALDH1A1 2567/4885ACACB 1792/4885ACACA 2962/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL ALDH1A1 3688/4885ACACB 1210/4885ACACA 2374/4885
US-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF RET, BRAF, RAF1 ALDH1A1 1309/4885ACACB 4737/4885ACACA 4813/4885
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use CRBN, MDM2, UBE2N ALDH1A1 3412/4885ACACB 3977/4885ACACA 4357/4885

“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.