SCHEMBL4523232

SCHEMBL4523232

BrCCCc1ccc(OCC#CCOc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
FFAR1 O14842 2/20 0.43
BCHE P06276 3/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
KCNA3 P22001 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL13932452 0.84 DRD2 (0.54) LTA4HEPHX2FFAR1DRD2DRD4
SCHEMBL4521863 0.84 KCNA3 (0.59) LTA4HEPHX2FFAR1DRD2DRD4
SCHEMBL4523221 0.83 LTA4H (0.66) LTA4HEPHX2FFAR1BCHEDRD2
SCHEMBL5380612 0.80 FFAR1 (0.55) LTA4HEPHX2FFAR1TDP1PPARG
SCHEMBL4692389 0.79 LTA4H (0.70) LTA4HEPHX2FFAR1BCHE
SCHEMBL31725799 0.79 CA12 (0.45) LTA4HEPHX2BCHE
SCHEMBL14463902 0.78 FFAR1 (0.62) LTA4HEPHX2FFAR1DRD2DRD4
SCHEMBL9808291 0.78 KCNH2 (0.57) LTA4HDRD2DRD4DRD3KCNH2
SCHEMBL4521402 0.76 KCNH2 (0.49) LTA4HDRD2DRD4DRD3KCNH2
SCHEMBL4522391 0.75 FFAR1 (0.61) LTA4HEPHX2FFAR1BCHE

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.