SCHEMBL305027

SCHEMBL305027

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.50
EPHX2 P34913 3/20 0.40
PPARG P37231 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PPARA Q07869 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
RECQL P46063 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ESR1 P03372 2/20 0.35

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
SCHEMBL306004 1.00 TBXAS1 (0.50) TBXAS1EPHX2PPARGCYP3A4CYP2C9
SCHEMBL305028 0.81 BACE1 (0.39) TBXAS1EPHX2PPARGPSEN1LTB4R
SCHEMBL304400 0.79 PPARG (0.39) EPHX2PPARGCYP3A4PPARANR1H4
SCHEMBL4603142 0.79 PPARG (0.45) TBXAS1PPARGPPARAESR1
SCHEMBL4616887 0.79 PPARG (0.45) TBXAS1PPARGPPARAESR1
SCHEMBL306003 0.77 CA12 (0.53) PPARGCYP3A4PPARA
SCHEMBL9342265 0.77 RXRA (0.51) PPARG
SCHEMBL9347235 0.76 ESR1 (0.43) PPARGCYP3A4ESR1
SCHEMBL11934179 0.76 TP53 (0.42) PPARGCYP3A4PPARA
SCHEMBL1314001 0.76 AGXT (0.42) CYP3A4

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 TBXAS1 3557/4885EPHX2 3473/4885PPARG 1435/4885

“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.