SCHEMBL13643125

SCHEMBL13643125

C[C@H](CCO)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.60
EPHX2 P34913 1/20 0.60
MAOB P27338 2/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PPARG P37231 3/20 0.52
PPARA Q07869 3/20 0.52
SIGMAR1 Q99720 1/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
BCHE P06276 1/20 0.51
MAOA P21397 1/20 0.51
ALOX5 P09917 1/20 0.50

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
SCHEMBL360368 0.88 MAOB (0.57) LTA4HEPHX2MAOBLMNACYP1A2
SCHEMBL357349 0.88 MAOB (0.57) LTA4HEPHX2MAOBLMNACYP1A2
SCHEMBL758429 0.84 CYSLTR2 (0.67) LTA4HMAOBPPARGPPARAFFAR1
SCHEMBL27590846 0.83 TAAR1 (0.56) CYP1A2SLC6A2SLC6A3SIGMAR1MAOA
SCHEMBL13003087 0.83 TAAR1 (0.56) CYP1A2SLC6A2SLC6A3SIGMAR1MAOA
SCHEMBL19143273 0.82 MAOB (0.52) LTA4HEPHX2MAOBLMNACYP1A2
SCHEMBL11440388 0.81 MAOB (0.60) LTA4HMAOBLMNACYP1A2PTGS1
SCHEMBL17923771 0.81 LTA4H (0.52) LTA4HEPHX2MAOBLMNACYP1A2
SCHEMBL17923773 0.81 LTA4H (0.52) LTA4HEPHX2MAOBLMNACYP1A2
SCHEMBL12532788 0.81 LTA4H (0.67) LTA4HMAOBSLC6A2SLC6A3SIGMAR1

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 LTA4H 4062/4885EPHX2 2831/4885MAOB 3045/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 LTA4H 4037/4885EPHX2 2808/4885MAOB 2959/4885

“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.