SCHEMBL15968636

SCHEMBL15968636

C1CCC(C(C2CCCCC2)C2(CC3CC3)CCCCC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
SHBG P04278 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL3909672 0.71 SHBG (0.38) EPHX1SHBG
SCHEMBL13219744 0.63 ADH1B (0.34) EPHX1
SCHEMBL9566239 0.63 SHBG (0.38) SHBG
SCHEMBL9821146 0.62 CHRM5 (0.33)
SCHEMBL7135996 0.62 SHBG (0.41) EPHX1SHBGTP53
SCHEMBL16321558 0.62 TP53 (0.34) EPHX1SHBGTP53
SCHEMBL2178276 0.62 SCN1A (0.33)
SCHEMBL1327001 0.61
SCHEMBL7876056 0.61 SCN1A (0.31)
SCHEMBL8384899 0.61 SCN1A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243414-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS JAPAN TOBACCO INC. (JP) 2014-08-28 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-20140243414-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, NPC1L1, LCAT EPHX1 1274/4885SHBG 1745/4885TP53 3028/4885

“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.