SCHEMBL4888097

SCHEMBL4888097

O=C(/C=N/O)c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
GPR52 Q9Y2T5 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 4/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
TSHR P16473 1/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL4888102 1.00 CES2 (0.54) CES2CES1ALDH1A1ALOX15GPR52
SCHEMBL27558909 0.79 CES2 (0.54) CES2CES1KMT2AMEN1TDP1
SCHEMBL295344 0.79 CES2 (0.62) CES2CES1ALDH1A1ALOX15GPR52
SCHEMBL27655177 0.78 ALDH1A1 (0.47) CES2CES1ALDH1A1GAAKMT2A
SCHEMBL28278591 0.78 KDM4E (0.52) ALDH1A1ALOX15GAAKMT2AMEN1
Water SCHEMBL9329581 0.77 CES2 (0.60) CES2CES1ALDH1A1ALOX15GPR52
Water SCHEMBL29955657 0.77 CES2 (0.60) CES2CES1ALDH1A1ALOX15GPR52
SCHEMBL4883566 0.76 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL4883568 0.76 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL28106466 0.76 MAPT (0.53) ALDH1A1ALOX15GAAKMT2AMEN1

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-20080227787-A1 Use of New Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2008-09-18 US disclosed
EP-1725227-A1 USE OF NEW LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2006-11-29 EP disclosed
WO-2005084656-A1 USE OF NEW LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2005-09-15 WO 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-20080227787-A1 Use of New Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 CES2 811/4885CES1 148/4885ALDH1A1 464/4885

“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.