SCHEMBL306003

SCHEMBL306003

CCOC(=O)/C=C/c1ccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
CA14 Q9ULX7 4/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 1/20 0.53
AKR1B10 O60218 5/20 0.50
AKR1B1 P15121 5/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP3A4 P08684 1/20 0.45
PTGS2 P35354 1/20 0.45
MAOB P27338 2/20 0.44
TTR P02766 2/20 0.44
DPP4 P27487 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
SCHEMBL4603142 0.87 PPARG (0.45) CA12CA7CA9CA14CA1
SCHEMBL4616887 0.87 PPARG (0.45) CA12CA7CA9CA14CA1
SCHEMBL6173335 0.85 PTGS2 (0.55) CA12CA7CA9CA14CA1
SCHEMBL6173331 0.85 PTGS2 (0.55) CA12CA7CA9CA14CA1
SCHEMBL305026 0.82 BACE1 (0.47) CA12CA7CA9CA14CA1
SCHEMBL800069 0.80 CYP4F2 (0.51) ALOX5
SCHEMBL9342310 0.78 MAPT (0.50) LMNANPC1RAB9APPARGPPARA
SCHEMBL304400 0.78 PPARG (0.39) LMNANPC1RAB9ACYP3A4MAOB
Ethyl Cinnamate SCHEMBL27295428 0.77 CA12 (0.70) CA12CA7CA9CA14CA1
Ethyl Cinnamate SCHEMBL27295429 0.77 CA12 (0.70) CA12CA7CA9CA14CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 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 (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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CA12 909/4885CA7 138/4885CA9 157/4885

“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.