SCHEMBL5751323

SCHEMBL5751323

O=C(O)C(Cc1ccc(C(F)(F)F)o1)C(O)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
SLC6A4 P31645 2/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.30
P2RX7 Q99572 1/20 0.30
KMT2A Q03164 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
SCHEMBL5754664 0.81 CNR2 (0.33) GRM8GRM4SLC6A4ACEP2RX7
SCHEMBL5749682 0.75 PPARG (0.44) ACEKMT2A
SCHEMBL5751624 0.75 PPARG (0.44) ACEKMT2A
SCHEMBL5752733 0.74 KMT2A (0.48) MMEKMT2A
SCHEMBL5753238 0.74 GAA (0.41) SLC6A4
SCHEMBL5753316 0.73 PPARG (0.45) SLC6A4
SCHEMBL5752274 0.72 EPHX2 (0.35) P2RX7
SCHEMBL5752439 0.72 SMN1; SMN2 (0.33)
SCHEMBL5747726 0.71 FFAR1 (0.42) ACEKMT2A
SCHEMBL5751805 0.71 SLC1A1 (0.47) SLC6A4KMT2A

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 GRM8 2597/4885GRM4 3172/4885SLC6A4 777/4885

“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.