SCHEMBL3672943

SCHEMBL3672943

COc1c(C(C)(C)C)cc(C)cc1C(C)(C)C1=CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.37
ALDH1A1 P00352 2/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ACHE P22303 1/20 0.32
PTGS1 P23219 1/20 0.31
TNFRSF1A P19438 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
SCHEMBL3686771 0.88 CA1 (0.42) PTGS2ALDH1A1CA2TSHRTDP1
SCHEMBL3679700 0.88 ACHE (0.32) ACHE
SCHEMBL3677483 0.87 PTGS2 (0.36) PTGS2ALDH1A1TSHRTDP1PTGS1
SCHEMBL3680241 0.83
SCHEMBL3681054 0.81 ACHE (0.30) ACHE
SCHEMBL3683600 0.80 CA2 (0.32) PTGS2ALDH1A1CA2SMN1; SMN2TNFRSF1A
SCHEMBL3681387 0.80 PTGS2 (0.38) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL3681015 0.79 PTGS2 (0.37) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL5857102 0.78 ALDH1A1 (0.52) PTGS2ALDH1A1CA2POLBTYR
SCHEMBL5085984 0.78 PTGS2 (0.36) PTGS2ALDH1A1CA2POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2045254-B1 RARE EARTH METAL COMPLEX, CATALYST FOR POLYMERIZATION AND PROCESS FOR PRODUCING POLYMER SUMITOMO CHEMICAL CO (JP) 2013-01-09 EP disclosed
US-7851569-B2 Rare earth metal complex, polymerization catalyst, and process for producing polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20090253875-A1 RARE EARTH METAL COMPLEX, POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED 2009-10-08 US disclosed
EP-2045254-A1 RARE EARTH METAL COMPLEX, CATALYST FOR POLYMERIZATION AND PROCESS FOR PRODUCING POLYMER Sumitomo Chemical Company, Limited (JP) 2009-04-08 EP disclosed
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 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-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
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-20090253875-A1 RARE EARTH METAL COMPLEX, POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYMER RPS27L, LAS1L, AGL PTGS2 3714/4885ALDH1A1 4278/4885CA2 992/4885

“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.