SCHEMBL3682147

SCHEMBL3682147

COc1c(C(C)(C)C)cccc1C(C)(C)C1=CC=C(C)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CA2 P00918 1/20 0.32
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3678348 0.88 ALDH1A1 (0.35) ALDH1A1GABRA1GABRB2NR1H4CA2
SCHEMBL3684204 0.82 PDE4B (0.33) NR1H4
SCHEMBL3681015 0.82 PTGS2 (0.37) ALDH1A1CA2PTGS2SMN1; SMN2TNFRSF1A
SCHEMBL3678784 0.81 CA1 (0.41) ALDH1A1CA2PTGS2TNFRSF1A
SCHEMBL3685706 0.79 PTGS2 (0.35) ALDH1A1PTGS2
SCHEMBL3681448 0.78 CA1 (0.38) ALDH1A1CA2PTGS2GAA
SCHEMBL3683600 0.77 CA2 (0.32) ALDH1A1NR1H4CA2PTGS2KDM4E
SCHEMBL3096012 0.76 CA2 (0.50) ALDH1A1GABRA1GABRB2NR1H4CA2
SCHEMBL30921753 0.74 CA2 (0.48) ALDH1A1GABRA1GABRB2NR1H4CA2
SCHEMBL3687571 0.73 ACHE (0.32) 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 ALDH1A1 4278/4885GABRA1 4163/4885GABRB2 4658/4885

“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.