SCHEMBL17050490

SCHEMBL17050490

c1csc(N2CCc3cc(OCC4CC4)ccc32)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.46
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
F10 P00742 9/20 0.38
ACACB O00763 4/20 0.37
CTSA P10619 1/20 0.36

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
SCHEMBL17050492 0.81 CYP2D6 (0.39) CYP2D6HRH3F10ACACB
SCHEMBL17050489 0.81 SRD5A1 (0.53) AOC3CYP2D6HRH3
SCHEMBL17050491 0.75 PIK3CA (0.43) AOC3
SCHEMBL8407964 0.71 SMN1; SMN2 (0.56)
SCHEMBL28257943 0.70 ROCK1 (0.47) AOC3
SCHEMBL17050565 0.68 ACACB (0.62) ACACB
SCHEMBL22713721 0.66 AOC3 (0.64) AOC3
SCHEMBL12175860 0.62 PARP15 (0.50)
SCHEMBL29024848 0.61 PARP15 (0.64)
SCHEMBL29500372 0.61 NPC1 (0.56) HRH3

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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 AOC3 210/4885CYP2D6 645/4885HRH3 289/4885

“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.