SCHEMBL4035733

SCHEMBL4035733

CC(C)(C)OC(=O)CCONCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
FFAR1 O14842 4/20 0.49
FFAR4 Q5NUL3 1/20 0.49
S1PR1 P21453 4/20 0.48
S1PR3 Q99500 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
LTA4H P09960 2/20 0.47
EPHX2 P34913 1/20 0.47
S1PR5 Q9H228 1/20 0.47
ALOX5 P09917 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
SCHEMBL4033125 0.84 ESRRG (0.45) SIGMAR1
SCHEMBL13225831 0.82 FFAR1 (0.56) FFAR1FFAR4LTA4HEPHX2ALOX5
SCHEMBL947617 0.79 S1PR1 (0.72) FFAR1S1PR1S1PR3LTA4HS1PR5
SCHEMBL4026294 0.79 PPARG (0.57)
SCHEMBL5947113 0.79 FFAR1 (0.66) FFAR1FFAR4
SCHEMBL15096997 0.78 MAPT (0.57) FFAR1S1PR1S1PR3S1PR5
SCHEMBL4032522 0.78 PPARG (0.44) S1PR1S1PR3S1PR5
SCHEMBL7275476 0.77 BCHE (0.56) BCHEFFAR1FFAR4SIGMAR1LTA4H
SCHEMBL7874020 0.76 MEN1 (0.58) FFAR1FFAR4LTA4HALOX5
SCHEMBL7869987 0.75 LMNA (0.57) FFAR1FFAR4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US disclosed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 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 (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-20060142277-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 BCHE 3313/4885FFAR1 2147/4885FFAR4 2294/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 BCHE 3313/4885FFAR1 2147/4885FFAR4 2294/4885

“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.