SCHEMBL5752953

SCHEMBL5752953

O=C(O)c1ccc(COc2ccc(C(O)C(Cc3cccc(OC(F)(F)C(F)F)c3)NC(=O)c3cccc4c3C=CCCC4)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.37
RXRB P28702 4/20 0.35
RXRA P19793 3/20 0.35
RXRG P48443 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MRGPRX4 Q96LA9 3/20 0.35
NR4A2 P43354 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CETP P11597 3/20 0.34
PTGER2 P43116 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5753406 0.95 CETP (0.38) CETP
SCHEMBL5752919 0.95 PTGER4 (0.38) PTGER4CETPPTGER2
SCHEMBL5751849 0.94 MAPT (0.37) PTGER4NPC1RAB9AMRGPRX4SMN1; SMN2
SCHEMBL5754604 0.93 CETP (0.35) CETPMEN1KMT2A
SCHEMBL5753597 0.90 CETP (0.40) SMN1; SMN2CETPMEN1KMT2A
SCHEMBL5751913 0.90 CETP (0.34) PTGER4CETP
SCHEMBL5749922 0.90 CETP (0.34) PTGER4CETP
SCHEMBL1899668 0.89 CETP (0.38) CETP
SCHEMBL5752659 0.89 CETP (0.35) CETPMAPT
SCHEMBL5749781 0.88 CETP (0.33) PTGER4CETPPTGER2MAPT

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 2 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

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 PTGER4 1632/4885RXRB 2124/4885RXRA 2166/4885

“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.