SCHEMBL5817162

SCHEMBL5817162

CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1C1(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.59
ALDH1A1 P00352 11/20 0.59
GAA P10253 9/20 0.59
HSD17B10 Q99714 7/20 0.59
CASP1 P29466 6/20 0.59
RECQL P46063 1/20 0.59
HPGD P15428 8/20 0.58
CASP7 P55210 5/20 0.58
GLA P06280 3/20 0.58
NPSR1 Q6W5P4 3/20 0.55
HTT P42858 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 2/20 0.50
ALOX15 P16050 2/20 0.50
MCL1 Q07820 1/20 0.50
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL6027133 0.85 HTT (0.69) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL6027826 0.81 KDM4E (0.61) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL5822611 0.81 KDM4E (0.58) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL5816033 0.81 KDM4E (0.58) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL6028913 0.81 ALDH1A1 (0.58) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL5815739 0.80 TSHR (0.61) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL5811272 0.80 KDM4E (0.56) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL6029208 0.79 NPSR1 (0.62) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL5816251 0.78 KDM4E (0.57) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL20657021 0.78 KDM4E (0.77) KDM4EALDH1A1GAAHSD17B10CASP1

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-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
WO-2006065842-A2 5,6,7,8-TETRAHYDROQUINOLINES AND RELATED COMPOUNDS AND USES THEREOF SYNTA PHARMACEUTICALS CORP. (US) 2006-06-22 WO disclosed
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.