SCHEMBL17461845

SCHEMBL17461845

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.43
▸ CNR2 P34972 12/20 0.43
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ STING1 Q86WV6 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 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
SCHEMBL16120079 0.91 NPC1 (0.45) NPC1CNR2ALDH1A1HPGDSTING1
SCHEMBL17461821 0.89 NPC1 (0.52) NPC1CNR2ALDH1A1HPGDCNR1
SCHEMBL17461830 0.87 CNR2 (0.41) NPC1CNR2ALDH1A1HPGDCNR1
SCHEMBL16093815 0.80 NPC1 (0.54) NPC1CNR2ALDH1A1HPGDCNR1
SCHEMBL17461831 0.79 MAP2K2 (0.37) NPC1CNR2ALDH1A1CNR1JAK2
SCHEMBL16120106 0.79 JAK2 (0.39) NPC1CNR2JAK2JAK1TYK2
SCHEMBL17461843 0.79 HPGD (0.57) NPC1CNR2ALDH1A1HPGDCNR1
SCHEMBL17461865 0.79 CNR2 (0.53) NPC1CNR2ALDH1A1HPGDCNR1
SCHEMBL16120028 0.78 CNR2 (0.43) CNR2ALDH1A1HPGD
SCHEMBL17461866 0.74 NPC1 (0.64) NPC1CNR2ALDH1A1HPGDCNR1

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 NPC1 2157/4885CNR2 204/4885ALDH1A1 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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