SCHEMBL4633295

SCHEMBL4633295

COc1ccc[c]c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
ADRA2B P18089 2/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL1071313 0.82 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL9238534 0.80 CA1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL7197893 0.79
SCHEMBL459472 0.73 CA12 (0.31) CA1CA2CA7CA9CA12
SCHEMBL9477843 0.73 AOC3 (0.32) CA1CA2CA7CA9CA12
SCHEMBL27573441 0.73 MAPT (0.50) TDP1MAPK1MAPTL3MBTL1APP
SCHEMBL2885322 0.73 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL125906 0.71 CA2 (0.41) CA2ALDH1A1TSHRTDP1
SCHEMBL1864344 0.71 GABRA1 (0.35) TSHR
SCHEMBL62201 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090527-B2 Method for producing transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing substituted cyclopentadiene compound (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-28 US disclosed
US-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 US disclosed
EP-2691405-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
US-20140018565-A1 METHOD FOR PRODUCING TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-8586612-B2 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
WO-2012133925-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
EP-1828131-B1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2008-06-04 EP disclosed
US-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
EP-1828131-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis Deutschland GmbH (DE) 2007-09-05 EP disclosed
WO-2006063722-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-22 WO 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-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A3, ATP2A2 CA1 3827/4885CA2 844/4885CA7 4327/4885
US-20140018565-A1 METHOD FOR PRODUCING TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) CPN1, CNOT9, CPNE4 CA1 233/4885CA2 223/4885CA7 140/4885

“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.