SCHEMBL5751081

SCHEMBL5751081

Cc1ccc(CO)cc1OC(F)(F)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 2/20 0.38
NOTUM Q6P988 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 1/20 0.34
CETP P11597 1/20 0.34
S1PR1 P21453 4/20 0.33
SCN9A Q15858 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
PDK2 Q15119 1/20 0.32
TTR P02766 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL16957643 0.85 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1NOTUML3MBTL1
SCHEMBL9368212 0.78 ALDH1A1 (0.40) ALDH1A1NOTUMPOLBTDP1L3MBTL1
SCHEMBL9367201 0.75 ALDH1A1 (0.42) ALDH1A1NOTUMPOLBTDP1L3MBTL1
SCHEMBL697450 0.73 CA2 (0.47) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL5751496 0.73 CARM1 (0.31) CETP
SCHEMBL10088549 0.73 CSNK2A1 (0.41) CYP4F2CYP4A11POLBLMNASLC22A12
SCHEMBL15670187 0.72 PPARG (0.49) ALDH1A1CETPSCN9APPARGPPARA
SCHEMBL5752667 0.72 NOTUM (0.52) ALDH1A1NOTUMLMNAMAPK1PDK2
SCHEMBL15670036 0.71 PPARD (0.39) CYP4F2CYP4A11ARS1PR1TTR
SCHEMBL16957987 0.71 ALDH1A1 (0.44) CYP4F2CYP4A11ALDH1A1S1PR1LMNA

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 CYP4F2 494/4885CYP4A11 109/4885ALDH1A1 783/4885

“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.