SCHEMBL1635308

SCHEMBL1635308

CC(=O)c1ccccc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 2/20 0.50
LMNA P02545 4/20 0.46
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB1 P18505 2/20 0.46
TSHR P16473 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46

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
SCHEMBL29567244 1.00 GABRA1 (0.50) GABRA1GABRB2LMNAKCNK3KCNK9
Hydrogen Peroxide SCHEMBL1652481 0.98 GABRA1 (0.48) GABRA1GABRB2LMNAKCNK3KCNK9
SCHEMBL11809743 0.86 KDM4E (0.41) GABRA1GABRB2LMNAKCNK3KCNK9
SCHEMBL12903432 0.85 IRAK4 (0.39) GABRA1GABRB2LMNAKCNK3KCNK9
SCHEMBL28814411 0.85 IRAK4 (0.43) LMNATSHRCYP1A2CYP3A4HIF1A
SCHEMBL10726252 0.85 IRAK4 (0.43) LMNATSHRCYP1A2CYP3A4HIF1A
SCHEMBL12714331 0.84 CES2 (0.41) LMNACA1CA2KMT2AIRAK4
SCHEMBL1148330 0.83 GABRA1 (0.52) GABRA1GABRB2LMNAKCNK3KCNK9
SCHEMBL9864537 0.83 GABRA1 (0.52) GABRA1GABRB2LMNAKCNK3KCNK9
SCHEMBL1344994 0.83 PTGS2 (0.46) LMNACYP3A4HPGDPTGS1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 US claimed
JP-4672139-B2 2011-04-20 JP claimed
EP-1066233-B1 IMPROVED PROCESS FOR THE PRODUCTION OF A DIHYDROXYBENZENE AND DICARBINOL FROM DIISOPROPYLBENZENE INDSPEC CHEMICAL CORP (US) 2003-07-30 EP claimed
US-6350921-B1 CATALYTIC OXIDATION OF DIISOPROPYLBENZENE TO OBTAIN DIHYDROPEROXIDE AND HYDROPEROXIDE, FEEDING AND COUNTERCURRENT EXTRACTION, DECOMPOSITION TO DICARBINOL INDSPEC CHEMICAL CORPORATION 2002-02-26 US claimed
JP-2002504530-A 2002-02-12 JP claimed
EP-1066233-A4 IMPROVED PROCESS FOR THE PRODUCTION OF A DIHYDROXYBENZENE AND DICARBINOL FROM DIISOPROPYLBENZENE INDSPEC CHEMICAL CORP (US) 2001-04-25 EP claimed
EP-1066233-A1 IMPROVED PROCESS FOR THE PRODUCTION OF A DIHYDROXYBENZENE AND DICARBINOL FROM DIISOPROPYLBENZENE INDSPEC CHEMICAL CORPORATION (US) 2001-01-10 EP claimed
WO-1999043637-A1 IMPROVED PROCESS FOR THE PRODUCTION OF A DIHYDROXYBENZENE AND DICARBINOL FROM DIISOPROPYLBENZENE INDSPEC CHEMICAL CORPORATION (US) 1999-09-02 WO claimed
US-3950431-A EXTRACTION WITH A SOLUTION OF AN ALCOHOL AND SODIUM HYDROXIDE OR SODIUM CARBONATE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 US claimed
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION 2024-01-04 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
WO-1999043637-A1 IMPROVED PROCESS FOR THE PRODUCTION OF A DIHYDROXYBENZENE AND DICARBINOL FROM DIISOPROPYLBENZENE INDSPEC CHEMICAL CORPORATION (US) 1999-09-02 WO disclosed
EP-0764889-A2 Toner for developing an electrostatic image CANON KABUSHIKI KAISHA (JP) 1997-03-26 EP disclosed
EP-0036312-B1 PROCESS FOR PRODUCING P-NITROANILINE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-09-28 EP disclosed
US-4370502-A NITRATION OF AN ALPHA-METHYLBENZALANILINE USING NITRIC ACID, ANALIPHATIC HALOGEN SOLVENT AND SULFURIC ACID; HYDROLYSIS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1983-01-25 US disclosed
EP-0036312-A2 Process for producing p-nitroaniline MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-09-23 EP disclosed
US-3950431-A EXTRACTION WITH A SOLUTION OF AN ALCOHOL AND SODIUM HYDROXIDE OR SODIUM CARBONATE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 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 (4 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-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY CFTR, PKD2, PKD1 GABRA1 1483/4885GABRB2 1323/4885LMNA 3466/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS GABRA1 1183/4885GABRB2 762/4885LMNA 1681/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GABRA1 910/4885GABRB2 360/4885LMNA 4052/4885
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A GABRA1 4685/4885GABRB2 4294/4885LMNA 2157/4885

“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.