SCHEMBL4523221

SCHEMBL4523221

OCCCc1ccc(OCC#CCOc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.66
EPHX2 P34913 1/20 0.66
FFAR1 O14842 6/20 0.46
PPARA Q07869 2/20 0.45
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
PPARG P37231 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
BCHE P06276 1/20 0.41
KCNH2 Q12809 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
SCHEMBL4517044 0.84 LTA4H (0.72) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL13932991 0.84 LTA4H (0.72) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL4523232 0.83 LTA4H (0.45) LTA4HEPHX2FFAR1DRD2DRD4
SCHEMBL14463874 0.81 LTA4H (0.77) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL18240129 0.80 LTA4H (0.66) LTA4HEPHX2FFAR1PPARAALDH1A1
SCHEMBL4519292 0.79 LTA4H (0.65) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL28142985 0.79 LTA4H (0.56) LTA4HEPHX2FFAR1PPARAALDH1A1
SCHEMBL1563277 0.79 LTA4H (1.00) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL11687518 0.78 LTA4H (0.97) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL4659369 0.78 LTA4H (0.73) LTA4HEPHX2FFAR1ALDH1A1DRD2

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-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A LTA4H 281/4885EPHX2 214/4885FFAR1 832/4885

“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.