SCHEMBL13643153

SCHEMBL13643153

CCCc1ccc(OCc2ccccc2)cc1CCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
ALOX5 P09917 1/20 0.47
MAOB P27338 6/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BCHE P06276 2/20 0.44
POLB P06746 1/20 0.44
HTR1D P28221 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 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
SCHEMBL2617306 0.86 CYP4F2 (0.57) CYP4F2CYP4A11LTA4HEPHX2ALOX5
SCHEMBL28970950 0.84 MAOB (0.61) CYP4F2CYP4A11ALOX5MAOBLMNA
SCHEMBL1898263 0.82 MAOB (0.55) CYP4F2CYP4A11ALOX5MAOBLMNA
SCHEMBL11237824 0.81 CYP4F2 (0.62) CYP4F2CYP4A11LTA4HEPHX2ALOX5
SCHEMBL9547754 0.81 CYP4F2 (0.62) CYP4F2CYP4A11LTA4HEPHX2ALOX5
SCHEMBL8000947 0.81 CYP4F2 (0.62) CYP4F2CYP4A11LTA4HEPHX2ALOX5
SCHEMBL9547844 0.79 CYP4F2 (0.60) CYP4F2CYP4A11LTA4HEPHX2ALOX5
SCHEMBL20607853 0.79 CYP4F2 (0.60) CYP4F2CYP4A11LTA4HEPHX2ALOX5
SCHEMBL3920931 0.79 MAOB (0.51) CYP4F2CYP4A11ALOX5MAOBLMNA
SCHEMBL9645108 0.79 CYP4F2 (0.60) CYP4F2CYP4A11LTA4HEPHX2ALOX5

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 CYP4F2 4617/4885CYP4A11 4619/4885LTA4H 4062/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CYP4F2 4522/4885CYP4A11 4488/4885LTA4H 4037/4885

“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.