SCHEMBL6656848

SCHEMBL6656848

O=C(O)CCCC(=O)OC[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
GAA P10253 2/20 0.40
FAAH O00519 4/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.36

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
SCHEMBL6651494 1.00 ALOX15 (0.42) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6654149 0.94 ALOX15 (0.43) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6651888 0.94 ALOX15 (0.43) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6656232 0.93 FAAH (0.41) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6652567 0.90 ALOX15 (0.44) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6652212 0.90 ALOX15 (0.44) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6652181 0.89 GAA (0.42) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6654193 0.89 GAA (0.42) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6660484 0.88 ALOX15 (0.43) ALOX15GAAFAAHRAB9ANPC1
SCHEMBL6654147 0.88 ALOX15 (0.43) ALOX15GAAFAAHRAB9ANPC1

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-20040167163-A1 Optically pure paroxetine precursors ASTUR-PHARMA, S.A. (ES) 2004-08-26 US disclosed
EP-1431287-A1 Optically pure paroxetine precursos Astur-Pharma, S.A. (ES) 2004-06-23 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-20040167163-A1 Optically pure paroxetine precursors CYP3A5, TPH2, MAOA ALOX15 886/4885GAA 299/4885FAAH 31/4885

“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.