SCHEMBL6478684

SCHEMBL6478684

COc1c[c]ccc1SC#N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL454786 0.79 POLB (0.34) HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL11704413 0.77 CA12 (0.31)
SCHEMBL6932331 0.76 AR (0.51) ARALDH1A1MAPTIMPDH2IMPDH1
SCHEMBL10683512 0.74 ALDH1A1 (0.34) ARHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL27999345 0.73 HTR2A (0.40)
SCHEMBL5512502 0.73 MAOB (0.50) ARALDH1A1MAPT
SCHEMBL6479477 0.71 AR (0.32) ARUSP2
SCHEMBL8565328 0.71 AR (0.41) ARHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL11884751 0.71 USP2 (0.32) USP2
SCHEMBL233007 0.71 ALDH1A1 (0.44) ARALDH1A1IMPDH2IMPDH1KDM4E

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-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 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-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG AR 569/4885CASP1 3306/4885HSD17B10 681/4885

“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.