SCHEMBL4527148

SCHEMBL4527148

O=C(O)c1ccc(OCCCc2ccc(OCc3ccc(Oc4ccccc4)cc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.88
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
SLC2A1 P11166 1/20 0.42
EZH2 Q15910 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLC6A5 Q9Y345 2/20 0.40
MAOB P27338 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
MMP2 P08253 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
SCHEMBL13918311 0.96 CYSLTR2 (0.89) CYSLTR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL4512506 0.94 CYSLTR2 (1.00) CYSLTR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL29438768 0.94 CYSLTR2 (1.00) CYSLTR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL13932996 0.93 CYSLTR2 (0.98) CYSLTR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL13918305 0.92 CYSLTR2 (0.81) CYSLTR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL13918307 0.91 CYSLTR2 (0.80) CYSLTR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL13918314 0.91 CYSLTR2 (0.80) CYSLTR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL4527529 0.91 CYSLTR2 (0.95) CYSLTR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL4508651 0.91 CYSLTR2 (0.82) CYSLTR2KMT2AMEN1ALDH1A1SGMS2
SCHEMBL13918332 0.91 CYSLTR2 (0.88) CYSLTR2KMT2AMEN1ALDH1A1SGMS2

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 8 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
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 WO 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 1426/4885KMT2A 4033/4885MEN1 3208/4885

“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.