SCHEMBL5889850

SCHEMBL5889850

Cc1cc(-c2ccc(C)s2)[c]o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
PGR P06401 1/20 0.34
QPCT Q16769 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL4003156 0.72 ALDH1A1 (0.39) NPC1ALDH1A1MAPTKDM4ETP53
SCHEMBL11515586 0.71 NPC1 (0.36) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL29764 0.68 NPC1 (0.52) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL12982405 0.66 NPC1 (0.50) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL12982161 0.66 NPC1 (0.50) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL11997754 0.66 NPC1 (0.50) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL120939 0.66 NPC1 (0.50) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL12170048 0.66 NPC1 (0.50) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL12887829 0.65 ERN1 (0.46) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL12929391 0.64 ALDH1A1 (0.43) NPC1ALDH1A1HSD17B10MAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105545-B2 N-p-propargyloxyphenethyl-thioacetic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US disclosed
US-20040127739-A1 Novel n-p-propargyloxyphenethyl-thioacetic acid amides SYNGENTA CROP PROTECTION, INC. 2004-07-01 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-20040127739-A1 Novel n-p-propargyloxyphenethyl-thioacetic acid amides O60361, OGA, GRHPR NPC1 1184/4885ALDH1A1 924/4885HSD17B10 1362/4885

“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.