SCHEMBL3678960

SCHEMBL3678960

COc1c(C(C)(C)C)cc(C)cc1C(C)(C)C1=CCC(C)=C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
DHFR P00374 1/20 0.32
ACHE P22303 1/20 0.31
PTGS1 P23219 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
SCHEMBL3680793 0.90 CA1 (0.40) PTGS2ALDH1A1CA2TSHRTDP1
SCHEMBL3685023 0.89 PTGS2 (0.32) PTGS2ALDH1A1TSHRTDP1DHFR
SCHEMBL3686784 0.88 ACHE (0.31) ACHE
SCHEMBL3679367 0.87 PTGS2 (0.33) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL3675516 0.83
SCHEMBL3688183 0.82 ALDH1A1 (0.33) ALDH1A1CA2SMN1; SMN2
SCHEMBL3680068 0.81
SCHEMBL5090063 0.81 PTGS2 (0.35) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL5086516 0.80 CYP3A4 (0.35) CYP3A4CYP2D6
SCHEMBL3681544 0.77

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 PTGS2 4199/4885ALDH1A1 3346/4885CA2 2089/4885

“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.