SCHEMBL13643128

SCHEMBL13643128

C[C@H](CC(=O)O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.64
FFAR1 O14842 3/20 0.61
FFAR4 Q5NUL3 1/20 0.61
PPARG P37231 3/20 0.58
PPARA Q07869 3/20 0.58
ITGB3 P05106 1/20 0.57
ITGB1 P05556 1/20 0.57
ITGAV P06756 1/20 0.57
ITGB5 P18084 1/20 0.57
ITGB6 P18564 1/20 0.57
MMP12 P39900 1/20 0.56
LTA4H P09960 2/20 0.55
PPARD Q03181 1/20 0.55
LAP3 P28838 1/20 0.54
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
ALOX5 P09917 1/20 0.54

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
SCHEMBL13643129 0.87 MAOB (0.65) MAOBFFAR1FFAR4PPARGPPARA
SCHEMBL758429 0.86 CYSLTR2 (0.67) MAOBFFAR1FFAR4PPARGPPARA
SCHEMBL14542152 0.84 CPA1 (0.60) ITGB3ITGB1ITGAVITGB5ITGB6
SCHEMBL750878 0.84 CPA1 (0.60) ITGB3ITGB1ITGAVITGB5ITGB6
SCHEMBL16488807 0.84 CPA1 (0.60) ITGB3ITGB1ITGAVITGB5ITGB6
SCHEMBL357349 0.83 MAOB (0.57) MAOBFFAR1FFAR4PPARGPPARA
SCHEMBL360368 0.83 MAOB (0.57) MAOBFFAR1FFAR4PPARGPPARA
SCHEMBL289033 0.82 LTA4H (0.67) MAOBFFAR1FFAR4PPARGPPARA
SCHEMBL5888154 0.82 LTA4H (0.67) MAOBFFAR1FFAR4PPARGPPARA
SCHEMBL9863278 0.82 CPA1 (0.58) ITGB3ITGB1ITGAVITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 MAOB 3045/4885FFAR1 4743/4885FFAR4 4823/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 MAOB 2959/4885FFAR1 4727/4885FFAR4 4821/4885

“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.