SCHEMBL5753531

SCHEMBL5753531

CCOC(=O)CCCCc1ccccc1C

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.75
CYP4A11 Q02928 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 4/20 0.49
NAMPT P43490 1/20 0.48
ALOX5 P09917 1/20 0.48
TBXAS1 P24557 1/20 0.46
GAA P10253 2/20 0.46
CYP4Z1 Q86W10 1/20 0.46

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
SCHEMBL13948404 0.88 CYP4F2 (0.73) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1859513 0.86 CYP4F2 (0.78) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL22098221 0.86 CYP4F2 (1.00) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13948679 0.85 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1
SCHEMBL27567553 0.84 CYP4F2 (0.71) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL16673195 0.84 CYP4F2 (0.55) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL12179901 0.83 CYP4F2 (0.69) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL11911407 0.83 CYP4F2 (0.69) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9713399 0.83 CYP4F2 (0.69) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1207466 0.83 CYP4F2 (0.69) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4

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 109/4885SMN1; SMN2 4771/4885

“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.