SCHEMBL799570

SCHEMBL799570

CCCCCCC(C)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
CES1 P23141 8/20 0.39
FAAH O00519 6/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL798994 0.89 CES1 (0.33) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23170226 0.84 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL13817686 0.81 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL24820838 0.80 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL20047649 0.79 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23395221 0.79 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL24926430 0.79 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL20642220 0.79 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23381380 0.78 LPAR1 (0.54) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL24761193 0.78 LPAR1 (0.54) CES2LPAR1LPAR3TSHRTHRB

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-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS E.I. DU PONT DE NEMOURS AND COMPANY CHEMTURA CORPORATION (US) 2012-03-22 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-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS FOS, AFF4, AFF1 CES2 1095/4885LPAR1 2421/4885LPAR3 985/4885

“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.