SCHEMBL5490364

SCHEMBL5490364

CCc1cc(SCC#Cc2ccccc2C(F)(F)F)ccc1OCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.56
PPARD Q03181 11/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5486731 0.89 PTGDR2 (0.57) PTGDR2PPARDPPARAPPARGMEN1
SCHEMBL5488425 0.78 PTGDR2 (0.44) PTGDR2PPARDPPARAPPARGMEN1
SCHEMBL5497003 0.72 PPARA (0.43) PTGDR2PPARDPPARAPPARG
SCHEMBL1371715 0.72 PTGDR2 (1.00) PTGDR2
SCHEMBL5481264 0.71 PPARD (0.69) PTGDR2PPARDPPARAPPARG
SCHEMBL5482920 0.70 PPARD (0.66) PPARDPPARA
SCHEMBL5480863 0.70 PPARD (0.57) PTGDR2PPARDPPARA
SCHEMBL3277007 0.67 PPARD (0.51) PTGDR2PPARD
SCHEMBL1577431 0.67 RXRA (0.59) PTGDR2PPARGALDH1A1HPGDALOX15
SCHEMBL30680095 0.67 RXRA (0.59) PTGDR2PPARGALDH1A1HPGDALOX15

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-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG PTGDR2 108/4885PPARD 1/4885PPARA 2/4885

“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.