SCHEMBL4518895

SCHEMBL4518895

O=C(O)c1ccc(OCCCc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.76
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
FFAR1 O14842 1/20 0.41
EZH2 Q15910 1/20 0.41
NR1H4 Q96RI1 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A5 Q9Y345 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
LTA4H P09960 1/20 0.39
PTGES O14684 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
SCHEMBL4522451 1.00 CYSLTR2 (0.76) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL4530711 0.96 CYSLTR2 (0.70) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL4530713 0.96 CYSLTR2 (0.70) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL13918344 0.92 CYSLTR2 (0.90) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL13918385 0.92 CYSLTR2 (0.90) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL13918311 0.91 CYSLTR2 (0.89) CYSLTR2EZH2NR1H4MEN1KMT2A
SCHEMBL4526257 0.89 CYSLTR2 (0.77) CYSLTR2EZH2NR1H4MEN1KMT2A
SCHEMBL4527148 0.89 CYSLTR2 (0.88) CYSLTR2FFAR1EZH2MEN1KMT2A
SCHEMBL4519166 0.88 CYSLTR2 (0.84) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL4509893 0.87 CYSLTR2 (0.82) CYSLTR2NR1H4MEN1KMT2AALDH1A1

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
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-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 1426/4885PDE4A 1912/4885PDE4B 1973/4885

“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.