SCHEMBL13436313

SCHEMBL13436313

CCCCCCCCCCCCCCCc1cccc(OC)c1C1C(C(=O)OC)=C(C)NC(=O)N1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.44
PDE1C Q14123 4/20 0.44
CACNA1F O60840 6/20 0.44
CACNA1D Q01668 6/20 0.44
CACNA1S Q13698 6/20 0.44
CACNA1C Q13936 6/20 0.44
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADORA2B P29275 1/20 0.39
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL489218 0.95 CACNA1F (0.48) PPARAPDE1CCACNA1FCACNA1DCACNA1S
SCHEMBL13436314 0.94 CACNA1F (0.44) PPARAPDE1CCACNA1FCACNA1DCACNA1S
SCHEMBL13436317 0.91 CACNA1F (0.44) PPARAPDE1CCACNA1FCACNA1DCACNA1S
SCHEMBL13436315 0.91 CACNA1F (0.52) PPARAPDE1CCACNA1FCACNA1DCACNA1S
SCHEMBL15468439 0.89 CACNA1F (0.49) PDE1CCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3521495 0.87 CACNA1F (0.54) PPARACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3524664 0.87 CACNA1F (0.54) PPARACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL489187 0.86 CACNA1F (0.39) PPARAPDE1CCACNA1FCACNA1DCACNA1S
SCHEMBL13436316 0.84 CACNA1F (0.41) PPARAPDE1CCACNA1FCACNA1DCACNA1S
SCHEMBL13436319 0.84 CACNA1F (0.52) PDE1CCACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS ORAI1, RYR2, RYR1 PPARA 3485/4885PDE1C 380/4885CACNA1F 17/4885

“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.