SCHEMBL3513396

SCHEMBL3513396

COc1cc(CCCCC(=O)c2ccc(CCC(C)(N)CO)n2C)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.54
S1PR3 Q99500 1/20 0.54
S1PR5 Q9H228 1/20 0.54
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
PLA2G4A P47712 1/20 0.33
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL3508875 1.00 S1PR1 (0.54) S1PR1S1PR3S1PR5ALOX5PPARG
SCHEMBL1453802 0.97 S1PR1 (0.57) S1PR1S1PR3S1PR5ALOX5PPARG
SCHEMBL3510339 0.97 S1PR1 (0.57) S1PR1S1PR3S1PR5ALOX5PPARG
SCHEMBL3509776 0.93 S1PR1 (0.54) S1PR1S1PR3S1PR5ALOX5ALDH1A1
SCHEMBL3512608 0.93 S1PR1 (0.54) S1PR1S1PR3S1PR5ALOX5ALDH1A1
SCHEMBL13165813 0.93 S1PR1 (0.53) S1PR1S1PR3S1PR5ALOX5ALDH1A1
SCHEMBL1454028 0.90 S1PR1 (0.57) S1PR1S1PR3S1PR5ALDH1A1MAPT
SCHEMBL1454717 0.90 S1PR1 (0.57) S1PR1S1PR3S1PR5ALDH1A1MAPT
SCHEMBL1453320 0.90 S1PR1 (0.56) S1PR1S1PR3S1PR5ALDH1A1MAPT
SCHEMBL3512798 0.89 S1PR1 (0.55) S1PR1S1PR3S1PR5PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915994-B1 CYCLIC AMINE DERIVATIVES IN COMBINATION WITH PPAR REGULATORS DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP claimed
EP-1782804-B1 MEDICINAL COMPOSITION, COMPRISING A HMG-CoA REDUCTASE INHIBITOR AND AN AMINO ALCOHOL DERIVATIVE, AS IMMUNOSUPPRESSANT DAIICHI SANKYO CO LTD (JP) 2011-12-28 EP claimed
US-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-06-26 US claimed
EP-1915994-A1 CYCLIC AMINE DERIVATIVE CONTAINING PPAR REGULATOR Sankyo Company, Limited (JP) 2008-04-30 EP claimed
US-20070149597-A1 Medicinal composition as immunosuppressant SANKYO COMPANY, LIMITED (JP) 2007-06-28 US claimed
EP-1782804-A1 MEDICINAL COMPOSITION AS IMMUNOSUPPRESSANT Sankyo Company, Limited (JP) 2007-05-09 EP claimed
EP-2045325-B1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO CO LTD (JP) 2012-09-19 EP disclosed
EP-1915994-B1 CYCLIC AMINE DERIVATIVES IN COMBINATION WITH PPAR REGULATORS DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
EP-1782804-B1 MEDICINAL COMPOSITION, COMPRISING A HMG-CoA REDUCTASE INHIBITOR AND AN AMINO ALCOHOL DERIVATIVE, AS IMMUNOSUPPRESSANT DAIICHI SANKYO CO LTD (JP) 2011-12-28 EP disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
US-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-06-26 US disclosed
EP-1915994-A1 CYCLIC AMINE DERIVATIVE CONTAINING PPAR REGULATOR Sankyo Company, Limited (JP) 2008-04-30 EP disclosed
US-20070149597-A1 Medicinal composition as immunosuppressant SANKYO COMPANY, LIMITED (JP) 2007-06-28 US disclosed
EP-1782804-A1 MEDICINAL COMPOSITION AS IMMUNOSUPPRESSANT Sankyo Company, Limited (JP) 2007-05-09 EP 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-20080153882-A1 Pharmaceutical Composition Comprising Ppar Regulator PPARG, PPARA, PPARD S1PR1 282/4885S1PR3 281/4885S1PR5 725/4885
US-20070149597-A1 Medicinal composition as immunosuppressant HMGCR, SHMT1, CYP11B1 S1PR1 361/4885S1PR3 550/4885S1PR5 1010/4885

“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.