SCHEMBL3685944

SCHEMBL3685944

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL3681387 0.89 PTGS2 (0.38) ACHEALDH1A1CA2POLBTYR
SCHEMBL3687571 0.88 ACHE (0.32) ACHEALDH1A1
SCHEMBL3681708 0.83 CYP3A4 (0.30) CYP3A4CYP2D6
SCHEMBL3681278 0.81 ACHE (0.30) ACHE
SCHEMBL3679700 0.79 ACHE (0.32) ACHE
SCHEMBL3681015 0.79 PTGS2 (0.37) ACHEALDH1A1CA2POLBTYR
SCHEMBL3684349 0.77 CA1 (0.43) ALDH1A1CA2
SCHEMBL14594236 0.76 ALDH1A1 (0.46) ACHEALDH1A1CA2POLBTYR
SCHEMBL31588907 0.76 ALDH1A1 (0.46) ACHEALDH1A1CA2POLBTYR
SCHEMBL3684407 0.76 PTGS2 (0.37) ALDH1A1

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 4 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

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 ACHE 3462/4885ALDH1A1 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.