SCHEMBL4518299

SCHEMBL4518299

O=C(O)c1ccc(OCCOc2ccc(C=CCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.74
CYSLTR1 Q9Y271 2/20 0.47
POLB P06746 2/20 0.42
CASP6 P55212 1/20 0.42
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
DRD3 P35462 1/20 0.40
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 2/20 0.39
OPRK1 P41145 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 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
SCHEMBL4518296 1.00 CYSLTR2 (0.74) CYSLTR2CYSLTR1POLBCASP6LTB4R
SCHEMBL4508682 0.94 CYSLTR2 (0.82) CYSLTR2CYSLTR1POLBCASP6LTB4R
SCHEMBL4508679 0.94 CYSLTR2 (0.82) CYSLTR2CYSLTR1POLBCASP6LTB4R
SCHEMBL4530684 0.94 CYSLTR2 (0.82) CYSLTR2CYSLTR1POLBCASP6LTB4R
SCHEMBL4522480 0.92 CYSLTR2 (0.73) CYSLTR2CYSLTR1POLBCASP6S1PR1
SCHEMBL4522489 0.92 CYSLTR2 (0.73) CYSLTR2CYSLTR1POLBCASP6S1PR1
SCHEMBL4527632 0.91 CYSLTR2 (0.88) CYSLTR2CYSLTR1POLBCASP6OPRK1
SCHEMBL4512254 0.88 CYSLTR2 (0.57) CYSLTR2CYSLTR1POLBCASP6LTB4R
SCHEMBL4512258 0.88 CYSLTR2 (0.57) CYSLTR2CYSLTR1POLBCASP6LTB4R
SCHEMBL13932996 0.86 CYSLTR2 (0.98) CYSLTR2CYSLTR1POLBCASP6S1PR1

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-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 CYSLTR2 1426/4885CYSLTR1 1675/4885POLB 2956/4885

“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.