SCHEMBL6463829

SCHEMBL6463829

CNC(=O)OC(C)(C)CCCCI

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL28916103 0.81 EPHX1 (0.52) EPHX1
SCHEMBL28996704 0.81 EPHX1 (0.46) TDP1EPHX1ALDH1A1TSHRHSD17B10
SCHEMBL29170600 0.79 TDP1 (0.33) NAAATDP1EPHX1ALDH1A1TSHR
SCHEMBL30500332 0.78 CHRNB2 (0.36) NAAATDP1EPHX1ALDH1A1TSHR
SCHEMBL28252136 0.77 LMNA (0.33) HSD17B10
SCHEMBL30816846 0.76 TDP1 (0.31) TDP1EPHX1ALDH1A1TSHRHSD17B10
SCHEMBL14520407 0.76 TDP1 (0.35) TDP1EPHX1ALDH1A1TSHRHSD17B10
SCHEMBL21912604 0.76 TDP1 (0.36) TDP1EPHX1ALDH1A1TSHRHSD17B10
SCHEMBL27737956 0.76 LMNA (0.32) TDP1HSD17B10
SCHEMBL19307961 0.75 EPHX1 (0.34) EPHX1

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-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO 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-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function CACNA1E, CACNA1C, CACNA1S NAAA 1959/4885TDP1 2887/4885EPHX1 2128/4885

“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.