SCHEMBL4530713

SCHEMBL4530713

O=C(O)c1ccc(OCCCc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.70
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
FFAR1 O14842 1/20 0.41
EZH2 Q15910 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
GAA P10253 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL4530711 1.00 CYSLTR2 (0.70) CYSLTR2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL4522451 0.96 CYSLTR2 (0.76) CYSLTR2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL4518895 0.96 CYSLTR2 (0.76) CYSLTR2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL13918513 0.91 CYSLTR2 (0.82) CYSLTR2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL4509893 0.91 CYSLTR2 (0.82) CYSLTR2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL13918344 0.87 CYSLTR2 (0.90) CYSLTR2MEN1KMT2AALDH1A1NPC1
SCHEMBL13918385 0.87 CYSLTR2 (0.90) CYSLTR2MEN1KMT2AALDH1A1NPC1
SCHEMBL13918311 0.87 CYSLTR2 (0.89) CYSLTR2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4523085 0.86 CYSLTR2 (0.64) CYSLTR2MEN1KMT2AALDH1A1RAB9A
SCHEMBL4523082 0.86 CYSLTR2 (0.64) CYSLTR2MEN1KMT2AALDH1A1RAB9A

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 1426/4885CYP4F2 200/4885CYP4A11 165/4885

“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.