SCHEMBL4533363

SCHEMBL4533363

O=C(O)c1ccc(OCCCc2ccc(OCC#CCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.89
CYSLTR1 Q9Y271 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC2A1 P11166 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
POLB P06746 2/20 0.37
CASP6 P55212 1/20 0.37
S1PR1 P21453 1/20 0.36
PLA2G4B P0C869 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
DRD4 P21917 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
SCHEMBL4512506 0.94 CYSLTR2 (1.00) CYSLTR2CYSLTR1NR1H4ALDH1A1MEN1
SCHEMBL29438768 0.94 CYSLTR2 (1.00) CYSLTR2CYSLTR1NR1H4ALDH1A1MEN1
SCHEMBL13932996 0.93 CYSLTR2 (0.98) CYSLTR2CYSLTR1NR1H4ALDH1A1MEN1
SCHEMBL4527529 0.92 CYSLTR2 (0.95) CYSLTR2NR1H4ALDH1A1MEN1KMT2A
SCHEMBL13918311 0.90 CYSLTR2 (0.89) CYSLTR2NR1H4ALDH1A1MEN1KMT2A
SCHEMBL4527148 0.90 CYSLTR2 (0.88) CYSLTR2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL13918385 0.89 CYSLTR2 (0.90) CYSLTR2CYSLTR1NR1H4ALDH1A1MEN1
SCHEMBL13918344 0.89 CYSLTR2 (0.90) CYSLTR2CYSLTR1NR1H4ALDH1A1MEN1
SCHEMBL4527632 0.88 CYSLTR2 (0.88) CYSLTR2CYSLTR1ALDH1A1MEN1KMT2A
SCHEMBL13918332 0.88 CYSLTR2 (0.88) CYSLTR2NR1H4ALDH1A1MEN1KMT2A

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 CYSLTR2 1426/4885CYSLTR1 1675/4885NR1H4 177/4885

“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.