SCHEMBL3674425

SCHEMBL3674425

COc1c(C(C)(C)C)cccc1C(C)(C)C1=C(C)C(C)C(C)=C1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
PTGS2 P35354 2/20 0.31
CA2 P00918 1/20 0.31
PTGS1 P23219 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3676756 0.83 NR1H4 (0.33) NR1H4
SCHEMBL3681023 0.82 PTGS2 (0.36) PTGS2CA2PTGS1ALDH1A1TSHR
SCHEMBL3674810 0.81 CA1 (0.40) PTGS2CA2PTGS1ALDH1A1TSHR
SCHEMBL5089962 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3685258 0.80 PTGS2 (0.35) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL3678838 0.79 CA1 (0.36) CA2PTGS1ALDH1A1TSHRTDP1
SCHEMBL3096012 0.75 CA2 (0.50) GABRA1GABRB2NR1H4PTGS2CA2
SCHEMBL30921753 0.73 CA2 (0.48) GABRA1GABRB2NR1H4PTGS2CA2
SCHEMBL5083703 0.70 NR1H4 (0.31) GABRA1GABRB2NR1H4
SCHEMBL3683214 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785429-B1 PROCESS FOR PRODUCING METALLOCENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-10-03 EP disclosed
US-7652159-B2 Process for producing metallocene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20080319213-A1 Process For Producing Metallocene Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
EP-1785429-A1 PROCESS FOR PRODUCING METALLOCENE COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-05-16 EP disclosed
EP-1498178-A2 Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers Sumitomo Chemical Company, Limited (JP) 2005-01-19 EP disclosed
EP-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
EP-0842939-B1 OLEFIN POLYMERIZATION CATALYST CONTAINING A TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6329478-B1 SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS SUMITMO CHEMICAL COMPANY, LIMITED 2001-12-11 US disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 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-20080319213-A1 Process For Producing Metallocene Compound H1-10, CNOT9, H1-4 GABRA1 4857/4885GABRB2 4863/4885NR1H4 480/4885

“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.