SCHEMBL4451452

SCHEMBL4451452

Cc1cccc(C(C)(C)C)c1[S]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
CA2 P00918 2/20 0.46
ALDH1A1 P00352 6/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
TRPA1 O75762 2/20 0.36
ATM Q13315 2/20 0.36
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KIF11 P52732 1/20 0.34
NLRP3 Q96P20 1/20 0.34
ALOX12 P18054 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.31

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
SCHEMBL1402232 0.76
SCHEMBL30660859 0.75 GABRA1 (0.60) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL3167832 0.75 GABRA1 (0.60) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL14877302 0.75 GABRA1 (0.60) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL30407772 0.74 GABRA1 (0.58) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL542212 0.74 GABRA1 (0.58) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL5496813 0.74 GABRA1 (0.58) GABRA1GABRB2CA2ALDH1A1TSHR
Fluoride SCHEMBL896144 0.73 CYP2A6 (0.47) GABRA1GABRB2CA2ALDH1A1TSHR
Fluoride SCHEMBL896142 0.73 CYP2A6 (0.47) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL1927917 0.73 GABRA1 (0.58) GABRA1GABRB2CA2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4485/4885CA2 2003/4885

“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.