SCHEMBL4508682

SCHEMBL4508682

O=C(O)c1ccc(OCCCc2ccc(C=CCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.82
S1PR1 P21453 6/20 0.44
S1PR3 Q99500 3/20 0.44
CYSLTR1 Q9Y271 1/20 0.43
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
DRD3 P35462 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL4530684 1.00 CYSLTR2 (0.82) CYSLTR2S1PR1S1PR3CYSLTR1LTB4R
SCHEMBL4508679 1.00 CYSLTR2 (0.82) CYSLTR2S1PR1S1PR3CYSLTR1LTB4R
SCHEMBL4518299 0.94 CYSLTR2 (0.74) CYSLTR2S1PR1S1PR3CYSLTR1LTB4R
SCHEMBL4518296 0.94 CYSLTR2 (0.74) CYSLTR2S1PR1S1PR3CYSLTR1LTB4R
SCHEMBL29438768 0.91 CYSLTR2 (1.00) CYSLTR2S1PR1S1PR3CYSLTR1POLB
SCHEMBL4512506 0.91 CYSLTR2 (1.00) CYSLTR2S1PR1S1PR3CYSLTR1POLB
SCHEMBL13932996 0.90 CYSLTR2 (0.98) CYSLTR2S1PR1S1PR3CYSLTR1POLB
SCHEMBL4527529 0.90 CYSLTR2 (0.95) CYSLTR2S1PR1S1PR3POLBCASP6
SCHEMBL13918305 0.89 CYSLTR2 (0.81) CYSLTR2S1PR1S1PR3CYSLTR1KDM4E
SCHEMBL4507341 0.88 CYSLTR2 (0.64) CYSLTR2S1PR1S1PR3CYSLTR1LTB4R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP claimed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US claimed
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 1426/4885S1PR1 4458/4885S1PR3 4374/4885

“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.