SCHEMBL5208034

SCHEMBL5208034

CC(C)(C)[SiH2]OC(C)(C)c1ccc(Br)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
ALOX15 P16050 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL4406050 0.79 ALDH1A1 (0.44) MAPK1ALDH1A1ALOX15KDM4E
SCHEMBL7262937 0.79 MAPK1 (0.32) MAPK1ALDH1A1ALOX15
SCHEMBL5270913 0.79 ESR1 (0.48) ALDH1A1ALOX15
SCHEMBL979053 0.76 ALDH1A1 (0.41) CYP2A6ALDH1A1KDM4E
SCHEMBL1534916 0.76
SCHEMBL2529902 0.75 KIF11 (0.38) MAPK1ALDH1A1ALOX15
SCHEMBL4283998 0.75 CYP2A6 (0.42) CYP2A6MAPK1ALDH1A1CA1CA2
SCHEMBL5454232 0.75 CYP3A4 (0.42) MAPK1ALDH1A1ALOX15KDM4E
SCHEMBL15774676 0.75 KIF11 (0.48) CYP2A6ALDH1A1CA2CA9
SCHEMBL481494 0.73

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-1362855-B1 BETA-LACTAM COMPOUNDS, PROCESS FOR REPODUCING THE SAME AND SERUM CHOLESTEROL-LOWERING AGENTS CONTAINING THE SAME KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2007-10-03 EP disclosed
US-7045515-B2 β-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2006-05-16 US disclosed
US-20040063929-A1 Beta-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1362855-A1 BETA-LACTAM COMPOUNDS, PROCESS FOR REPODUCING THE SAME AND SERUM CHOLESTEROL-LOWERING AGENTS CONTAINING THE SAME Kotobuki Pharmaceutical Co., Ltd. (JP) 2003-11-19 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-20040063929-A1 Beta-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same HMGCR, NCEH1, CETP CYP2A6 327/4885MAPK1 3049/4885ALDH1A1 859/4885

“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.