SCHEMBL71370

SCHEMBL71370

COC(=O)/C(C)=C/C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.36
GPR35 Q9HC97 1/20 0.33
TET2 Q6N021 1/20 0.32
NOTUM Q6P988 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL3246109 1.00 ALDH1A1 (0.39) ALDH1A1MAPTGPR35TET2NOTUM
SCHEMBL29101734 0.82 ALDH1A1 (0.36) ALDH1A1MAPTGPR35TET2NOTUM
SCHEMBL11032462 0.78 ALDH1A1 (0.40) ALDH1A1TET2KEAP1NFE2L2HCAR2
SCHEMBL4009654 0.78 ALDH1A1 (0.35) ALDH1A1MAPTTET2KEAP1NFE2L2
SCHEMBL2417309 0.76 ALDH1A1 (0.39) ALDH1A1MAPTGPR35TET2KEAP1
SCHEMBL11938107 0.76 ALDH1A1 (0.36) ALDH1A1MAPTGPR35TET2KEAP1
SCHEMBL8941587 0.76 ALDH1A1 (0.39) ALDH1A1TET2KEAP1NFE2L2HCAR2
SCHEMBL7868945 0.76 ALDH1A1 (0.39) ALDH1A1MAPTGPR35TET2KEAP1
SCHEMBL3230569 0.76 GLO1 (0.45) ALDH1A1MAPT
SCHEMBL8828773 0.76 GLO1 (0.45) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209791-B1 Heterocyclic derivatives MERCK SHARP & DOHME (NL) 2014-01-22 EP disclosed
US-8129397-B2 Substituted thieno[2,3-d]pyrimidines as AMPA modulators MSD OSS B.V. (US) 2012-03-06 US disclosed
US-20090131455-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON 2009-05-21 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-20090131455-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIK5, GRIN1 ALDH1A1 398/4885MAPT 469/4885GPR35 183/4885

“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.