SCHEMBL4518376

SCHEMBL4518376

O=C(O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCCCC2C(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.75
NR1H4 Q96RI1 1/20 0.45
PLA2G4B P0C869 1/20 0.42
SSTR3 P32745 1/20 0.42
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
PTGER4 P35408 2/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
FFAR1 O14842 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
SCHEMBL4518377 1.00 CYSLTR2 (0.75) CYSLTR2NR1H4PLA2G4BSSTR3MMP2
SCHEMBL4523085 0.92 CYSLTR2 (0.64) CYSLTR2NR1H4FFAR1
SCHEMBL4523082 0.92 CYSLTR2 (0.64) CYSLTR2NR1H4FFAR1
SCHEMBL4509647 0.87 CYSLTR2 (0.67) CYSLTR2NR1H4PLA2G4BPOLBCASP6
SCHEMBL4525419 0.86 CYSLTR2 (0.57) CYSLTR2
SCHEMBL4525421 0.86 CYSLTR2 (0.57) CYSLTR2
SCHEMBL4512506 0.86 CYSLTR2 (1.00) CYSLTR2NR1H4PLA2G4BPOLBCASP6
SCHEMBL29438768 0.86 CYSLTR2 (1.00) CYSLTR2NR1H4PLA2G4BPOLBCASP6
SCHEMBL13918385 0.85 CYSLTR2 (0.90) CYSLTR2NR1H4PLA2G4BPOLBCASP6
SCHEMBL13918344 0.85 CYSLTR2 (0.90) CYSLTR2NR1H4PLA2G4BPOLBCASP6

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
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP 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 1426/4885NR1H4 177/4885PLA2G4B 2504/4885

“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.