SCHEMBL191352

SCHEMBL191352

CC(C)c1ccccc1S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.52
GABRB2 P47870 2/20 0.52
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
FAAH O00519 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL29986709 1.00 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL7741493 0.97 GABRA1 (0.50) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL27743276 0.92 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL28780602 0.84 L3MBTL1 (0.53) GABRA1GABRB2GABRG2GABRB3FAAH
Biphenyl SCHEMBL27574712 0.84 GABRA1 (0.40) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL29429205 0.81 GABRA1 (0.63) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL66162 0.81 GABRA1 (0.63) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL13242010 0.80 GABRA1 (0.39) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL24044259 0.78 GABRA1 (0.37) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL5220290 0.78 GABRA1 (0.37) GABRA1GABRB2GABRG2GABRB3FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-217051876-U Cumene thiol uses waste water degassing unit 内蒙古宏远天呈科技发展有限公司 2022-07-26 CN claimed
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN claimed
CN-112083100-A Method for simultaneously detecting multiple volatile components in pepper or pepper product 成都市食品药品检验研究院 2020-12-15 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-9487553-B2 Boranophosphate analogues of cyclic nucleotides BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2016-11-08 US claimed
EP-2691403-B1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INST FORSCHUNGSLABOR UND BIOCHEMICA VERTRIEB GMBH (DE) 2016-05-18 EP claimed
EP-1511757-B1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) UNIV MEDISCH CENTRUM UTRECHT (NL) 2015-11-04 EP claimed
EP-2128198-B1 Process for the preparation of polyamides using carboxylic acids and amides LURGI ZIMMER GMBH (DE) 2015-01-21 EP claimed
US-8877748-B2 Heterocyclic fused anthraquinone derivatives, manufacturing method and pharmaceutical composition using thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2014-11-04 US claimed
US-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2014-03-27 US claimed
EP-2236578-A1 A NEW LUMBER ADHESIVE AND THE PREPARATION THEREOF Yang, Guang (CN) 2010-10-06 EP claimed
WO-2009144044-A1 PROCESS FOR PREPARING POLYAMIDES USING CARBOXYLIC ACIDS AND AMIDES LURGI ZIMMER GMBH (DE) 2009-12-03 WO claimed
EP-2128198-A1 Process for the preparation of polyamides using carboxylic acids and amides Lurgi Zimmer GmbH (DE) 2009-12-02 EP claimed
WO-2007006544-A2 CYCLIC ADENOSINE MONOPHOSPHATE COMPOUNDS FOR THE TREATMENT OF IMMUNE-RELATED DISORDERS VRIJE UNIVERSITEIT BRUSSEL (BE) 2007-01-18 WO claimed
US-20060100166-A1 Compounds for modulating the activity of exchange proteins directly activated by camp (epacs) KYLIX B.V. (NL) 2006-05-11 US claimed
EP-1511757-A1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) Kylix B.V. (NL) 2005-03-09 EP claimed
WO-2003104250-A1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) KYLIX, B. V. (NL) 2003-12-18 WO claimed
US-5686513-A Process for the production of stabilizer concentrate for polyamide ZIMMER AKTIENGESELLSCHAFT (DE) 1997-11-11 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

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-20060100166-A1 Compounds for modulating the activity of exchange proteins directly activated by camp (epacs) RAPGEF3, CREB1, PDE4C GABRA1 671/4885GABRB2 736/4885GABRG2 762/4885
US-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES NT5C2, NT5E, ENPP3 GABRA1 1171/4885GABRB2 1082/4885GABRG2 1808/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR GABRA1 4271/4885GABRB2 4691/4885GABRG2 3755/4885

“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.