SCHEMBL5753376

SCHEMBL5753376

O=C(O)C(Cc1cccc(OC(F)(F)C(F)F)n1)C(O)c1ccc(F)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
MME P08473 1/20 0.30
P2RX7 Q99572 3/20 0.30
SLC1A1 P43005 2/20 0.30
EPHX2 P34913 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
SCHEMBL7152442 0.84 TRPV3 (0.31) TRPV3P2RX7EPHX2
SCHEMBL5752895 0.84 TRPV3 (0.31) TRPV3P2RX7EPHX2
SCHEMBL5752439 0.79 SMN1; SMN2 (0.33) EPHX2
SCHEMBL5748762 0.77 CETP (0.46) PPARGPPARASLC1A1EPHX2
SCHEMBL5752628 0.76 PTPN1 (0.42) PPARGPPARA
SCHEMBL5747760 0.72 EPHX2 (0.34) PPARGEPHX2
SCHEMBL5755188 0.71 KMT2A (0.39) PPARGPPARASLC1A1
SCHEMBL5749815 0.71 RORC (0.36) PPARGPPARASLC1A1
SCHEMBL5749734 0.71 KMT2A (0.36) PPARGPPARASLC1A1
SCHEMBL5756021 0.70 TRPV3 (0.38) TRPV3

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
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP PTGDR2 2702/4885TRPV3 3126/4885PPARG 905/4885

“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.