SCHEMBL945701

SCHEMBL945701

CCc1cccc(S)c1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
HTR1A P08908 3/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MGLL Q99685 1/20 0.38
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
DAO P14920 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
DRD3 P35462 2/20 0.34
MAOA P21397 1/20 0.34
HTT P42858 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Water SCHEMBL9004557 0.98 GABRA1 (0.44) GABRA1GABRB2HTR1ATAAR1MGLL
SCHEMBL4267814 0.85 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL27492869 0.85 GABRA1 (0.41) GABRA1GABRB2DAOHTTLMNA
SCHEMBL15105310 0.85 GABRA1 (0.41) GABRA1GABRB2HTR1ATAAR1KCNH2
Trifluoromethanesulfonic Acid SCHEMBL5410138 0.82 GABRA1 (0.41) GABRA1GABRB2HTR1ATAAR1SCN5A
SCHEMBL245773 0.82 GABRA1 (0.57) GABRA1GABRB2HTR1ATAAR1MGLL
SCHEMBL15105218 0.81 IAPP (0.39) GABRA1GABRB2HTR1ATAAR1KCNH2
Methane SCHEMBL28776675 0.79 GABRA1 (0.55) GABRA1GABRB2HTR1ATAAR1MGLL
Ammonia Solution, Strong SCHEMBL27320869 0.79 GABRA1 (0.55) GABRA1GABRB2HTR1ATAAR1MGLL
SCHEMBL31498538 0.79 GABRA1 (0.55) GABRA1GABRB2HTR1ATAAR1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552132-A MOLECULAR SIEVES CHEVRON U.S.A. INC. (US) 1996-09-03 US claimed
US-5527385-A CONTAINING ELECTRON DONATING CHROMOGENIC COMPOUND, ELECTRON ACCEPTING COMPOUND, HYDRAZIDE COMPOUND DESENSITIZER, TRANSITION TEMPERATURE MODIFIER SAKURA COLOR PRODUCTS CORPORATION (JP) 1996-06-18 US claimed
WO-1996013460-A1 PREPARING A CRYSTALLINE ALUMINOPHOSPHATE COMPOSITION CHEVRON U.S.A. INC. (US) 1996-05-09 WO claimed
US-5350633-A Carbazole derivative desensitizer SAKURA COLOR PRODUCTS CORPORATION (JP) 1994-09-27 US claimed
US-5350634-A Microcapsules, desensitizers SAKURA COLOR PRODUCTS CORPORATION (JP) 1994-09-27 US claimed
US-5290911-A Forming polymers by catalytic oxidative coupling RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1994-03-01 US claimed
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US claimed
EP-3854786-B1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES UBE CORP (JP) 2026-02-18 EP disclosed
US-12281074-B2 Method for producing amino acid derivatives UBE CORPORATION (JP) 2025-04-22 US disclosed
CN-119707784-A Process for preparing amino acid derivatives 株式会社API 2025-03-28 CN disclosed
US-12202800-B2 Method for producing amino acid derivatives API CORPORATION (JP) 2025-01-21 US disclosed
CN-112930338-B Process for preparing amino acid derivatives 株式会社API 2024-12-24 CN disclosed
CN-118459372-A Preparation method of photoacid generator sulfonate for ARF photoresist 常州朗芯新材料科技有限公司 2024-08-09 CN disclosed
US-5084586-A Polymerization catalysts MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-01-28 US disclosed
EP-0442635-A1 Novel initiators for cationic polymerization MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-08-21 EP disclosed
US-4983720-A Process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1991-01-08 US disclosed
EP-0402481-A1 PRODUCTION OF POLYARYLENE THIOETHER RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1990-12-19 EP disclosed
US-4931542-A Process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL COMPANY, LIMITED (JP) 1990-06-05 US disclosed
EP-0281036-A2 A process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-07 EP disclosed
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 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 (2 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-12202800-B2 Method for producing amino acid derivatives GLO1, BCAT2, BCAT1 GABRA1 867/4885GABRB2 2679/4885HTR1A 501/4885
US-12281074-B2 Method for producing amino acid derivatives PTGS2, PTGES, PTGES2 GABRA1 1814/4885GABRB2 2658/4885HTR1A 242/4885

“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.