SCHEMBL3746992

SCHEMBL3746992

OCCc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
DPP4 P27487 1/20 0.41
HTR7 P34969 1/20 0.40
GCG P01275 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39

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
SCHEMBL1497158 0.83 CYP2C19 (0.53) CYP2C19FFAR4FFAR1CYP1A2SLC6A4
SCHEMBL429540 0.83 DPP4 (0.58) FFAR4FFAR1ALDH1A1DPP4HTR7
SCHEMBL27840283 0.83 DPP4 (0.58) FFAR4FFAR1ALDH1A1DPP4HTR7
SCHEMBL16629574 0.82 PPARA (0.46) CYP2C19FFAR4FFAR1CYP1A2SLC6A4
SCHEMBL11287161 0.82 CYP2C19 (0.45) CYP2C19FFAR4FFAR1ALDH1A1CYP1A2
SCHEMBL1611069 0.82 CYP2C19 (0.45) CYP2C19FFAR4FFAR1ALDH1A1CYP1A2
SCHEMBL7559810 0.82 ALDH1A1 (0.40) CYP2C19FFAR4FFAR1ALDH1A1NPSR1
SCHEMBL28332553 0.82 TDP1 (0.54) FFAR4FFAR1DPP4PTGER1PTGER4
SCHEMBL29584523 0.82 TDP1 (0.54) FFAR4FFAR1DPP4PTGER1PTGER4
SCHEMBL2865404 0.82 ABL1 (0.50) DPP4KMT2APTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817031-B1 CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY MERCK PATENT GMBH (DE) 2014-05-21 EP claimed
EP-1817031-B1 CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY MERCK PATENT GMBH (DE) 2014-05-21 EP disclosed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US disclosed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 WO 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 (1 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-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 CYP2C19 2904/4885FFAR4 860/4885FFAR1 624/4885

“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.