SCHEMBL18655700

SCHEMBL18655700

C/C=C(/C(=O)OC)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
TET2 Q6N021 1/20 0.33
CES2 O00748 3/20 0.33
ACHE P22303 3/20 0.33
CES1 P23141 3/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 1/20 0.31
XBP1 P17861 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR35 Q9HC97 1/20 0.31
CA2 P00918 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
SCHEMBL20042556 0.81 ALDH1A1 (0.35) ALDH1A1MAPTTET2CES2ACHE
SCHEMBL5532962 0.81 ALDH1A1 (0.35) ALDH1A1MAPTTET2CES2ACHE
SCHEMBL28944264 0.78
SCHEMBL27618248 0.78
SCHEMBL27757791 0.78 MAPT (0.41) ALDH1A1MAPTTET2MEN1XBP1
SCHEMBL28109999 0.77 ALDH1A1 (0.36) ALDH1A1TET2KEAP1NFE2L2HCAR2
SCHEMBL22296704 0.76
SCHEMBL5644945 0.75 GLO1 (0.47) ALDH1A1MAPTCES2ACHECES1
SCHEMBL27648818 0.75 GLO1 (0.47) ALDH1A1MAPTCES2ACHECES1
SCHEMBL13858138 0.74 ALDH1A1 (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-03-23 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-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS PPOX, OSTC, OCIAD1 ALDH1A1 2904/4885MAPT 80/4885TET2 907/4885

“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.