SCHEMBL4516440

SCHEMBL4516440

O=C(O)c1ccc(OCCCc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c(C(=O)N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.55
S1PR1 P21453 1/20 0.43
RECQL P46063 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
FFAR1 O14842 1/20 0.42
KMT2A Q03164 1/20 0.42
F10 P00742 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SCN9A Q15858 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
YAP1 P46937 1/20 0.40
LTA4H P09960 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 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
SCHEMBL4524047 0.94 CYSLTR2 (0.49) CYSLTR2RECQLKMT2AF10SMN1; SMN2
SCHEMBL13918454 0.91 CYSLTR2 (0.62) CYSLTR2S1PR1RECQLPDE4APDE4B
SCHEMBL4522253 0.91 CYSLTR2 (0.64) CYSLTR2S1PR1RECQLKMT2ASMN1; SMN2
SCHEMBL13918458 0.91 CYSLTR2 (0.53) CYSLTR2S1PR1RECQLKMT2ACYP4F2
SCHEMBL13918463 0.91 CYSLTR2 (0.51) CYSLTR2RECQLKMT2ASMN1; SMN2NPC1
SCHEMBL13918495 0.91 CYSLTR2 (0.51) CYSLTR2KMT2ANPC1RAB9A
SCHEMBL13918475 0.90 CYSLTR2 (0.61) CYSLTR2S1PR1RECQLPDE4APDE4B
SCHEMBL13918516 0.90 CYSLTR2 (0.56) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5206606 0.90 CYSLTR2 (0.47) CYSLTR2RECQLPDE4APDE4BPDE4C
SCHEMBL13918431 0.90 CYSLTR2 (0.51) CYSLTR2S1PR1KMT2ASMN1; SMN2CYP4F2

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 6 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
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP 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 1426/4885S1PR1 4458/4885RECQL 2021/4885

“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.