SCHEMBL6027133

SCHEMBL6027133

CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
NCOA1 Q15788 1/20 0.69
NCOA3 Q9Y6Q9 1/20 0.69
KDM4E B2RXH2 16/20 0.61
ALDH1A1 P00352 11/20 0.61
GAA P10253 8/20 0.61
HSD17B10 Q99714 8/20 0.61
CASP1 P29466 7/20 0.61
RECQL P46063 1/20 0.61
HPGD P15428 7/20 0.60
CASP7 P55210 6/20 0.60
GLA P06280 4/20 0.60
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
USP2 O75604 2/20 0.52
ALOX15 P16050 2/20 0.52
MCL1 Q07820 1/20 0.52
PKM P14618 1/20 0.51
TSHR P16473 2/20 0.50

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
SCHEMBL5817162 0.85 KDM4E (0.59) HTTNCOA1NCOA3KDM4EALDH1A1
SCHEMBL5816033 0.84 KDM4E (0.58) HTTNCOA1NCOA3KDM4EALDH1A1
SCHEMBL6027826 0.84 KDM4E (0.61) HTTNCOA1NCOA3KDM4EALDH1A1
SCHEMBL5822611 0.84 KDM4E (0.58) HTTNCOA1NCOA3KDM4EALDH1A1
SCHEMBL6028913 0.84 ALDH1A1 (0.58) HTTNCOA1NCOA3KDM4EALDH1A1
SCHEMBL5815739 0.82 TSHR (0.61) HTTNCOA1NCOA3KDM4EALDH1A1
SCHEMBL5811272 0.82 KDM4E (0.56) HTTNCOA1NCOA3KDM4EALDH1A1
SCHEMBL6029208 0.81 NPSR1 (0.62) HTTNCOA1NCOA3KDM4EALDH1A1
SCHEMBL5814814 0.80 KDM4E (0.60) HTTKDM4EALDH1A1GAAHSD17B10
SCHEMBL5816251 0.80 KDM4E (0.57) HTTNCOA1NCOA3KDM4EALDH1A1

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 HTT 1410/4885NCOA1 2738/4885NCOA3 2474/4885

“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.