SCHEMBL4603142

SCHEMBL4603142

CC(C)(C)[Si](OCc1ccc(/C=C/C(=O)O)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
TBXAS1 P24557 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
HCAR2 Q8TDS4 2/20 0.45
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
CYP26A1 O43174 1/20 0.44

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
SCHEMBL4616887 1.00 PPARG (0.45) PPARGPPARATBXAS1HDAC3HDAC4
SCHEMBL306003 0.87 CA12 (0.53) PPARGPPARALMNACA12AKR1B10
SCHEMBL304400 0.82 PPARG (0.39) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL13244784 0.81 BACE1 (0.52) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9342265 0.80 RXRA (0.51) PPARGALDH1A1
SCHEMBL4603138 0.80 BACE1 (0.51) TBXAS1CA4CA1CA2BACE1
SCHEMBL4603145 0.80 BACE1 (0.51) TBXAS1CA4CA1CA2BACE1
SCHEMBL306004 0.79 TBXAS1 (0.50) PPARGPPARATBXAS1ESR1
SCHEMBL305027 0.79 TBXAS1 (0.50) PPARGPPARATBXAS1ESR1
SCHEMBL9347235 0.79 ESR1 (0.43) PPARGHDAC6LMNAALDH1A1ESR1

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
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US 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 (2 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA PPARG 1435/4885PPARA 1461/4885TBXAS1 3557/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA PPARG 1515/4885PPARA 1588/4885TBXAS1 3289/4885

“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.