SCHEMBL13643129

SCHEMBL13643129

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.65
LTA4H P09960 3/20 0.58
PPARG P37231 4/20 0.54
PPARA Q07869 3/20 0.54
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PPARD Q03181 1/20 0.52
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
LAP3 P28838 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL13643128 0.87 MAOB (0.64) MAOBLTA4HPPARGPPARAFFAR1
SCHEMBL10509525 0.87 NPC1 (0.51) MAOBLTA4HNPC1RAB9A
SCHEMBL8298804 0.85 MAOB (0.64) MAOBLTA4HPPARGPPARAFFAR1
SCHEMBL6506467 0.85 MAOB (0.64) MAOBLTA4HPPARGPPARAFFAR1
SCHEMBL27977003 0.81 LTA4H (0.68) MAOBLTA4HPPARGPPARAFFAR1
SCHEMBL21366441 0.81 LTA4H (0.68) MAOBLTA4HPPARGPPARAFFAR1
SCHEMBL17931576 0.80 MAOB (0.81) MAOBLTA4HPPARGPPARAPPARD
SCHEMBL8594326 0.80 MAOB (0.57) MAOBLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL392863 0.80 ALOX5 (0.66) MAOBFFAR1FFAR4NPC1RAB9A
SCHEMBL357349 0.80 MAOB (0.57) MAOBLTA4HPPARGPPARAFFAR1

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 3045/4885LTA4H 4062/4885PPARG 2756/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 MAOB 2959/4885LTA4H 4037/4885PPARG 2510/4885

“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.