SCHEMBL4670802

SCHEMBL4670802

CC(C)Cc1cccc(CO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
ENPP2 Q13822 1/20 0.45
PNMT P11086 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TSHR P16473 1/20 0.42
S1PR1 P21453 1/20 0.42
PRKCI P41743 1/20 0.41
TRPA1 O75762 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL8539519 0.89 GABRA1 (0.50) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL2141223 0.85 PNMT (0.60) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL2141228 0.85 PNMT (0.60) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL5259036 0.85 PNMT (0.60) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL1653015 0.83 GABRA1 (0.44) GABRA1GABRB2PNMTTRPA1TAAR1
SCHEMBL9338131 0.83 TDP1 (0.46) GABRA1GABRB2PNMTTRPA1TAAR1
SCHEMBL16960175 0.81 GABRA1 (0.43) GABRA1GABRB2TSHR
SCHEMBL19567243 0.81 PRKCI (0.54) PRKCI
Phosphoric Acid SCHEMBL29099239 0.81 GABRA1 (0.46) GABRA1GABRB2PNMT
Phosphoric Acid SCHEMBL28056683 0.81 GABRA1 (0.46) GABRA1GABRB2PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
CN-116903494-A Preparation method of alpha-alkyl nitrile derivative and alpha-alkenyl nitrile derivative 浙江工业大学 2023-10-20 CN disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20150126512-A1 Modulators Of TNF-Alpha Signaling GENZYME CORPORATION (US) 2015-05-07 US disclosed
US-8921547-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2014-12-30 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
US-8637557-B2 Aminothiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-01-28 US disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6271248-B1 USED IN TREATING HYPERTENSION, PULMONARY HYPERTENSION, RENAL/ GLOMERULAR/MESANGIAL CELL DISORDERS, ENDOTOXEMIA, ISCHEMIA, TUMOR GROWTH, ATHERSCLEROSIS, RESTENOSIS, SUBARACHNOID HEMORRHAGE, PROSTATIC HYPERTROPHY, CONGESTIVE HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
US-6080774-A Substituted biphenylsulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-27 US disclosed
EP-0768305-A1 N-Isoxazolyl-biphenylsulfonamide derivatives, their preparation and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-16 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
US-5149884-A Oxidative dehydrogenation of aromatic or aliphatic alcohols in gas phase BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0244632-B1 TUBE BUNDLE REACTOR, ITS USE IN EXOTHERMAL ORGANIC REACTIONS AND PROCESS FOR THE PREPARATION OF KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
US-4224254-A OXIDATION OF AROMATIC ALCOHOLS, SILVER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 US disclosed
EP-0004881-A2 Process for the preparation of aromatic and araliphatic aldehydes BASF Aktiengesellschaft (DE) 1979-10-31 EP 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 (3 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-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 GABRA1 1264/4885GABRB2 1057/4885ENPP2 93/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 GABRA1 486/4885GABRB2 738/4885ENPP2 918/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS GABRA1 3423/4885GABRB2 3822/4885ENPP2 1277/4885

“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.