SCHEMBL6028121

SCHEMBL6028121

CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.54
ALDH1A1 P00352 12/20 0.54
GAA P10253 8/20 0.54
HPGD P15428 7/20 0.54
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.49
CASP1 P29466 5/20 0.49
HSD17B10 Q99714 4/20 0.49
RECQL P46063 1/20 0.49
CASP7 P55210 4/20 0.48
GLA P06280 2/20 0.48
NOTCH1 P46531 2/20 0.47
USP2 O75604 2/20 0.46
ALOX15 P16050 1/20 0.46
MCL1 Q07820 1/20 0.46
PKM P14618 1/20 0.46
EGFR P00533 1/20 0.45

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
SCHEMBL6027814 0.92 KDM4E (0.49) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL6029643 0.91 KDM4E (0.54) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL6027804 0.91 KDM4E (0.52) KDM4EALDH1A1GAAHPGDGSK3A
SCHEMBL5822150 0.90 KDM4E (0.51) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL6028402 0.90 KDM4E (0.56) KDM4EALDH1A1GAAHPGDGSK3A
SCHEMBL5809315 0.89 KDM4E (0.51) KDM4EALDH1A1GAAHPGDGSK3B
SCHEMBL6028247 0.89 KDM4E (0.56) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6027973 0.88 KDM4E (0.54) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6028041 0.88 KDM4E (0.53) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6029716 0.87 NOTCH1 (0.57) KDM4EALDH1A1GAAHPGDGSK3A

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 2337/4885ALDH1A1 416/4885GAA 230/4885

“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.