SCHEMBL9885331

SCHEMBL9885331

COc1ccc(C)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ACHE P22303 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
LPAR1 Q92633 1/20 0.39
SNCA P37840 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 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
SCHEMBL179542 0.83 GAA (0.47) CA1CA2ALDH1A1GAACA12
SCHEMBL10320491 0.82 CA1 (0.56) CA1CA2ALDH1A1GAACA12
SCHEMBL2900162 0.81 EPHX2 (0.44) CA1CA2CA12CA7CA9
SCHEMBL5546106 0.80 CA1 (0.54) CA1CA2ALDH1A1GAACA12
SCHEMBL799846 0.78 ALDH1A1 (0.70) CA1CA2ALDH1A1GAACA12
SCHEMBL17688873 0.78 NQO1 (0.48) CA1ALDH1A1CA12CA7CA9
SCHEMBL17688872 0.78 GPR3 (0.44) GAACYP1A2KDM4EMEN1MAPT
SCHEMBL20249750 0.77 HTT (0.43) CA1CA2ALDH1A1GAAKDM4E
SCHEMBL20746643 0.77 MAOA (0.40) CA1CA2ALDH1A1KDM4EL3MBTL1
SCHEMBL9133188 0.77 CA1 (0.50) CA1CA2ALDH1A1GAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2018-07-10 US disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 WO disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-24 US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 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 (13 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-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA CA1 4873/4885CA2 4354/4885ALDH1A1 1105/4885
US-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 CA1 4764/4885CA2 4358/4885ALDH1A1 2315/4885
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 CA1 4834/4885CA2 3329/4885ALDH1A1 1326/4885
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA CA1 4873/4885CA2 4354/4885ALDH1A1 1105/4885
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA CA1 4873/4885CA2 4354/4885ALDH1A1 1105/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 CA1 740/4885CA2 1080/4885ALDH1A1 4663/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 CA1 3089/4885CA2 3037/4885ALDH1A1 3223/4885
US-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof IL2, IL1B, IL5 CA1 4659/4885CA2 4466/4885ALDH1A1 487/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 CA1 4764/4885CA2 4358/4885ALDH1A1 2315/4885
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF OPRM1, OPRK1, OPRL1 CA1 3969/4885CA2 4024/4885ALDH1A1 1408/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 CA1 4031/4885CA2 1378/4885ALDH1A1 565/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA1 4396/4885CA2 4029/4885ALDH1A1 312/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 CA1 4870/4885CA2 4746/4885ALDH1A1 2196/4885

“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.