SCHEMBL3683442

SCHEMBL3683442

COc1ccccc1C(C)(C)C1=CC=C(C(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CASR P41180 1/20 0.35
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2B P18089 1/20 0.33
PTGS1 P23219 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3681448 0.85 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL3678348 0.79 ALDH1A1 (0.35) CA2ALDH1A1GAAPTGS1PTGS2
SCHEMBL9326106 0.78 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL30948566 0.78 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL3678437 0.77 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL29771456 0.73 CA2 (0.57) CA1CA2CA7CA9CA12
SCHEMBL142899 0.73 CA2 (0.57) CA1CA2CA7CA9CA12
SCHEMBL3680458 0.73 CA1 (0.35) CA1CA2CA7CA9CA12
SCHEMBL19468259 0.69 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL8784464 0.69 CA1 (0.57) CA1CA2CA7CA9CA12

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 CA1 792/4885CA2 992/4885CA7 434/4885

“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.