SCHEMBL4079901

SCHEMBL4079901

CC(C)(C)OC(=O)NC(=O)OC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.51
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CACNA1B Q00975 5/20 0.43
BTK Q06187 1/20 0.41
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL27791244 1.00 EPHX1 (0.51) EPHX1GAASMN1; SMN2CACNA1BBTK
SCHEMBL26043772 0.98 EPHX1 (0.49) EPHX1GAASMN1; SMN2CACNA1BBTK
SCHEMBL27813335 0.95 BTK (0.45) EPHX1GAASMN1; SMN2CACNA1BBTK
SCHEMBL21197505 0.91 NFKB1 (0.41) EPHX1GAACACNA1BBTKALDH1A1
SCHEMBL3068442 0.84 EPHX1 (0.65) EPHX1SMN1; SMN2NPC1HTTRAB9A
SCHEMBL6498943 0.81 BTK (0.35) EPHX1GAASMN1; SMN2CACNA1BBTK
SCHEMBL5283279 0.78 EPHX1 (0.52) EPHX1GAACACNA1BHTTALDH1A1
SCHEMBL1079567 0.78 EPHX1 (0.46) EPHX1GAASMN1; SMN2CACNA1BBTK
SCHEMBL28161422 0.77 GAA (0.53) EPHX1GAASMN1; SMN2BTKNPC1
SCHEMBL11593346 0.77 EPHX1 (0.44) EPHX1GAASMN1; SMN2CACNA1BNPC1

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
WO-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B EPHX1 3500/4885GAA 2152/4885SMN1; SMN2 3290/4885

“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.