SCHEMBL17461833

SCHEMBL17461833

C=C(C)c1ccc2c(c1)c1ccc(C(N)=O)cc1n2CCC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.59
▸ HPGD P15428 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ CNR2 P34972 9/20 0.50
▸ RORC P51449 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ BRPF1 P55201 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CNR1 P21554 1/20 0.42

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
SCHEMBL17461866 0.95 NPC1 (0.64) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL16120023 0.90 NPC1 (0.62) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL29643244 0.84 NPC1 (0.80) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL28266234 0.84 NPC1 (0.80) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL16098831 0.84 NPC1 (0.67) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL17461821 0.81 NPC1 (0.52) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL17461841 0.80 HPGD (0.57) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL17461828 0.79 HPGD (0.50) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL16120150 0.78 HPGD (0.73) NPC1HPGDALDH1A1KDM4ELMNA
SCHEMBL17461867 0.78 HPGD (0.51) NPC1HPGDALDH1A1KDM4ELMNA

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 2157/4885HPGD 166/4885ALDH1A1 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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