SCHEMBL6027508

SCHEMBL6027508

CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CC(C)(C)C2)C1c1cc(OC)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.56
HSD17B10 Q99714 7/20 0.52
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 9/20 0.46
GAA P10253 6/20 0.46
CASP1 P29466 5/20 0.46
HPGD P15428 5/20 0.46
CASP7 P55210 4/20 0.46
GLA P06280 2/20 0.46
CYP3A4 P08684 1/20 0.46
KLK7 P49862 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTR1A P08908 2/20 0.43
ADRA2A P08913 2/20 0.43
CHRM1 P11229 2/20 0.43
DRD1 P21728 2/20 0.43

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
SCHEMBL6027973 0.94 KDM4E (0.54) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL6029048 0.92 KDM4E (0.46) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL5823596 0.89 HTR1A (0.51) KDM4EHSD17B10POLBALDH1A1GAA
SCHEMBL6029934 0.88 KDM4E (0.47) KDM4EHSD17B10ALDH1A1GAACASP1
SCHEMBL6028402 0.88 KDM4E (0.56) KDM4EHSD17B10ALDH1A1GAACASP1
SCHEMBL6028504 0.86 NPSR1 (0.51) KDM4EHSD17B10TP53ALDH1A1GAA
SCHEMBL5816007 0.86 KDM4E (0.48) KDM4EHSD17B10ALDH1A1GAACASP1
SCHEMBL6028121 0.86 KDM4E (0.54) KDM4EHSD17B10ALDH1A1GAACASP1
SCHEMBL6029810 0.86 KDM4E (0.54) KDM4EHSD17B10ALDH1A1GAACASP1
SCHEMBL6027814 0.86 KDM4E (0.49) KDM4EHSD17B10ALDH1A1GAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 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 (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-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SLC5A2, SLC5A1, QDPR KDM4E 2337/4885HSD17B10 447/4885TP53 1217/4885

“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.