SCHEMBL17469607

SCHEMBL17469607

S=C=NCC1CCCCCC[C@H](N=C=S)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.41
EPHX1 P07099 1/20 0.35
HIF1A Q16665 1/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL15883864 1.00 APLNR (0.41) APLNREPHX1HIF1AKEAP1NFE2L2
SCHEMBL19040708 1.00 APLNR (0.41) APLNREPHX1HIF1AKEAP1NFE2L2
SCHEMBL19040755 0.85 APLNR (0.52) APLNREPHX1HIF1AKEAP1NFE2L2
(Isothiocyanatomethyl)Cyclohexane SCHEMBL1448756 0.80 KEAP1 (0.42) APLNREPHX1HIF1AKEAP1NFE2L2
SCHEMBL941091 0.78 KEAP1 (0.34) APLNRKEAP1NFE2L2
SCHEMBL6538414 0.77
SCHEMBL822852 0.76 EPHX1 (0.54) EPHX1HIF1AALDH1A1
SCHEMBL8156464 0.76 ALDH1A1 (0.55) EPHX1HIF1AALDH1A1
SCHEMBL13459214 0.75 APLNR (0.72) APLNREPHX1HIF1AALDH1A1
SCHEMBL16307180 0.75 APLNR (0.72) APLNREPHX1HIF1AALDH1A1

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-20160022624-A1 Method for Treating Eczema THE WILLIAM M YARBROUGH FOUNDATION 2016-01-28 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-20160022624-A1 Method for Treating Eczema CCL11, TYR, ITCH APLNR 1930/4885EPHX1 356/4885HIF1A 2576/4885

“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.