SCHEMBL5346545

SCHEMBL5346545

Cc1cccc(C)c1C[S]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
CYP1A2 P05177 1/20 0.43
ACHE P22303 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
TAAR1 Q96RJ0 2/20 0.38
HTR1D P28221 1/20 0.36
TRPA1 O75762 2/20 0.36
CD44 P16070 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
AR P10275 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL9171980 0.78 CYP2A6 (0.39) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL201782 0.77 CYP2A6 (0.43) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL5250399 0.75 TAAR1 (0.50) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL8093986 0.75 CYP2A6 (0.47) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL8095408 0.73 CYP2A6 (0.45) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL597056 0.73 CYP2A6 (0.45) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL8096178 0.73 CYP2A6 (0.45) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL8097070 0.71 CYP2A6 (0.43) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL18165210 0.71 CYP2A6 (0.43) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL8093240 0.71 CYP2A6 (0.43) CYP2A6CYP1A2ACHETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-5455355-A Postemergence, preemergence herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-03 US disclosed
EP-0468690-B1 Pyrimidine derivatives SUMITOMO CHEMICAL CO (JP) 1995-05-31 EP disclosed
US-5298632-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
US-5232897-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-03 US disclosed
EP-0549344-A1 Triazine derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed
US-5135563-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-04 US disclosed
US-5129938-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-14 US disclosed
EP-0469711-A1 Pyrimidine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-05 EP disclosed
EP-0468690-A1 Pyrimidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-29 EP disclosed
EP-0457505-A2 Pyrimidine derivatives and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-21 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 CYP2A6 3512/4885CYP1A2 2200/4885ACHE 4578/4885

“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.