SCHEMBL17461830

SCHEMBL17461830

C=C(C)c1ccc2c(c1)c1c(C(=O)NC)cccc1n2CCCF

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.41
▸ RORC P51449 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL16120028 0.92 CNR2 (0.43) CNR2RORCALDH1A1HPGD
SCHEMBL17461845 0.87 NPC1 (0.43) CNR2ALDH1A1HPGDNPC1CNR1
SCHEMBL17461862 0.82 CNR2 (0.45) CNR2ALDH1A1HPGDPTGDR2
SCHEMBL16119999 0.81 CNR2 (0.43) CNR2ALDH1A1HPGDNPC1CNR1
SCHEMBL16120079 0.78 NPC1 (0.45) CNR2ALDH1A1HPGDNPC1CNR1
SCHEMBL17461843 0.77 HPGD (0.57) CNR2RORCALDH1A1HPGDNPC1
SCHEMBL17461865 0.77 CNR2 (0.53) CNR2ALDH1A1HPGDNPC1CNR1
SCHEMBL17461821 0.76 NPC1 (0.52) CNR2RORCALDH1A1HPGDNPC1
SCHEMBL17461842 0.72 RORC (0.45) CNR2RORCALDH1A1HPGDNPC1
SCHEMBL16120022 0.70 ALDH1A1 (0.65) CNR2ALDH1A1HPGDNPC1CNR1

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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT CNR2 204/4885RORC 119/4885ALDH1A1 371/4885

“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.

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