SCHEMBL4446282

SCHEMBL4446282

Cc1cccc(S)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
TRPA1 O75762 2/20 0.36
ATM Q13315 1/20 0.36
PSMD14 O00487 2/20 0.35
COPS5 Q92905 2/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
CA2 P00918 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CD44 P16070 1/20 0.31
ELANE P08246 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
SCHEMBL2687017 0.82 GABRA1 (0.48) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL8387574 0.82 GABRA1 (0.48) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL942704 0.81 CYP2A6 (0.36) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL28225311 0.78 PSMD14 (0.32) PSMD14COPS5
SCHEMBL25514646 0.77
SCHEMBL4988860 0.76 CA2 (0.46) GABRA1GABRB2TSHRCA2ALDH1A1
SCHEMBL27943107 0.76 GABRA1 (0.40) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL1927917 0.73 GABRA1 (0.58) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL16355401 0.73 GABRA1 (0.47) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL9607578 0.71 CD44 (0.52) GABRA1GABRB2CYP2A6CYP1A2TRPA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2243668-A None JP disclosed
US-8119103-B2 Bifunctional resorcinol, thioresorcinol, and dithioresorcinol derivative metal chelating conjugates MALLINCKRODT LLC (US) 2012-02-21 US disclosed
US-7550639-B2 Process for producing olefin oligomer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-23 US disclosed
US-7323611-B2 Process for producing olefin oligomer SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-01-29 US disclosed
US-7186667-B2 Catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-06 US disclosed
US-20070027350-A1 PROCESS FOR PRODUCING OLEFIN OLIGOMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-02-01 US disclosed
US-20060293546-A1 PROCESS FOR PRODUCING OLEFIN OLIGOMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-12-28 US disclosed
US-7115539-B2 Metal compound, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
US-7084219-B2 Contact product, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-01 US disclosed
US-20040209762-A1 Metal compound, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed
US-20040209767-A1 Contact product, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed
US-20040186009-A1 Catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-23 US disclosed
US-6548443-B1 A transition metal compound having a cyclopentadiene in its molecule with a modified aluminum oxy compound obtained by reacting an aluminum oxy with a compound having a hydroxyl; improvement of the catalyst activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed
US-20010053832-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-20 US disclosed
EP-1134234-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-19 EP disclosed
EP-1081167-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-07 EP disclosed
JP-H02243668-A METHYL-2-TERT-BUTYL-5-THIOPHENOL AND ITS PRODUCTION AND USE THEREOF SOC FR HOECHST 1990-09-27 JP 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 (1 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-20040209762-A1 Metal compound, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer AP1M1, PYM1, SEM1 GABRA1 4006/4885GABRB2 4485/4885CYP2A6 3512/4885

“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.