SCHEMBL366622

SCHEMBL366622

CC(C)c1cc(C(C)C)c(-c2ccccc2P)c(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
FABP4 P15090 3/20 0.36
FABP3 P05413 2/20 0.36
ROCK2 O75116 1/20 0.35
FABP5 Q01469 1/20 0.35
PDK2 Q15119 1/20 0.31
LMNA P02545 1/20 0.31
METAP2 P50579 1/20 0.30
IDH1 O75874 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
Cyclohexane SCHEMBL664618 0.95 ROCK2 (0.42) GABRA1GABRB2FABP4FABP3ROCK2
SCHEMBL21989736 0.89 FABP4 (0.46) GABRA1GABRB2FABP4FABP3FABP5
Biphenyl SCHEMBL29080056 0.87 ROCK2 (0.45) ROCK2
SCHEMBL1986951 0.85 RXRA (0.30)
SCHEMBL30317598 0.83 ROCK2 (0.39) GABRA1GABRB2FABP4FABP3ROCK2
SCHEMBL27836256 0.82 GABRA1 (0.41) GABRA1GABRB2LMNACA12CA1
SCHEMBL664028 0.82
Hydrochloric Acid SCHEMBL21331878 0.81 ROCK2 (0.38) GABRA1GABRB2FABP4FABP3ROCK2
SCHEMBL28926436 0.79 LMNA (0.44) GABRA1GABRB2FABP4FABP3ROCK2
SCHEMBL28438073 0.79 GABRA1 (0.38) GABRA1GABRB2FABP4FABP3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773294-A Preparation method and application of flavone and isoflavone compounds 武汉大学 2021-12-10 CN claimed
CN-111212837-A Pharmaceutical salts, physical forms and compositions of pyrrolopyrimidine kinase inhibitors and methods of making the same 艾森医药公司 2020-05-29 CN claimed
EP-4743462-A1 COMPOUNDS COMPRISING A NAPHTHYRIDINE OR PYRIDOPYRIMIDINE CORE AS PTC READ-THROUGH AGENTS Tay Therapeutics Limited (GB) 2026-05-20 EP disclosed
EP-4180440-B1 CYCLIC BIARYLPHOSPHINES AS LIGANDS FOR PALLADIUM-CONTAINING CATALYSTS IN CROSS-COUPLING REACTIONS HERAEUS PRECIOUS METALS GMBH (DE) 2026-01-28 EP disclosed
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 WO disclosed
CN-120035593-A Pyrazine derivatives and uses thereof 福宏治疗公司 2025-05-23 CN disclosed
WO-2025040546-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-02-27 WO disclosed
WO-2025012643-A1 COMPOUNDS COMPRISING A NAPHTHYRIDINE OR PYRIDOPYRIMIDINE CORE AS PTC READ-THROUGH AGENTS Tay Therapeutics Limited (GB) 2025-01-16 WO disclosed
CN-119219637-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2024-12-31 CN disclosed
CN-114981257-B Substituted pyrazolopiperidine carboxylic acids 拜耳公司 2024-07-05 CN disclosed
US-20240206324-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2024-06-20 US disclosed
US-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KAI HIROYUKI (JP) 2012-01-12 US disclosed
CN-102317275-A New herbicides SYNGENTA LTD 2012-01-11 CN disclosed
EP-2248840-A1 CONDENSED POLYCYCLIC COMPOUND, CONDENSED POLYCYCLIC POLYMER AND ORGANIC THIN FILM CONTAINING THE COMPOUND OR THE POLYMER Osaka University (JP) 2010-11-10 EP disclosed
WO-2010119285-A1 IMIDAZO [1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2010-10-21 WO disclosed
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2010-08-19 US disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 US disclosed
EP-2143713-A1 NOVEL PYRROLINONE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME Shionogi&Co., Ltd. (JP) 2010-01-13 EP disclosed
CN-101466729-A Lysobactin amides AICURIS GMBH & CO KG (DE) 2009-06-24 CN disclosed
US-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-06-18 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 (5 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-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 GABRA1 666/4885GABRB2 890/4885FABP4 4214/4885
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 GABRA1 83/4885GABRB2 176/4885FABP4 4350/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 GABRA1 666/4885GABRB2 890/4885FABP4 4214/4885
US-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 GABRA1 494/4885GABRB2 1219/4885FABP4 1170/4885
US-20240206324-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER CYP1B1, CYP4F11, CYP1A1 GABRA1 701/4885GABRB2 1811/4885FABP4 3933/4885

“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.