SCHEMBL13643138

SCHEMBL13643138

CC(Cc1ccc(OCc2ccccc2)c(C=O)c1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
CTSB P07858 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
PTGER4 P35408 3/20 0.42
PTGER2 P43116 3/20 0.42
PTGER1 P34995 2/20 0.42
PTGER3 P43115 2/20 0.42
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL14870836 1.00 ERN1 (0.44) ERN1CTSBLTB4RLTB4R2FFAR4
SCHEMBL13643147 0.85 LMNA (0.44) CTSBLTB4RLTB4R2FFAR4KDM4E
SCHEMBL13643141 0.84 S1PR5 (0.53) ERN1FFAR4PTGER4PTGER2PTGER1
SCHEMBL14870838 0.84 S1PR5 (0.53) ERN1FFAR4PTGER4PTGER2PTGER1
SCHEMBL13643137 0.83 FOLH1 (0.62) FFAR4KDM4ETDP1PTGER4PTGER2
SCHEMBL14870833 0.83 FOLH1 (0.62) FFAR4KDM4ETDP1PTGER4PTGER2
SCHEMBL18082677 0.81 RXRA (0.49) FFAR4TDP1PTGER4PTGER2PTGER1
SCHEMBL13643146 0.80 XDH (0.52)
SCHEMBL2617286 0.79 PPARA (0.50) CTSBKDM4ETDP1MAPT
SCHEMBL10214909 0.79 PPARA (0.50) CTSBKDM4ETDP1MAPT

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 ERN1 1871/4885CTSB 2225/4885LTB4R 4314/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 ERN1 1585/4885CTSB 2122/4885LTB4R 4259/4885

“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.