SCHEMBL4513160

SCHEMBL4513160

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
PPARG P37231 4/20 0.47
PTPN11 Q06124 3/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
MCL1 Q07820 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43
ESR1 P03372 1/20 0.42

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
SCHEMBL4510798 0.89 CYSLTR2 (0.53) FFAR1PPARGPTPN11PDE4APDE4B
SCHEMBL4522472 0.88 FFAR1 (0.47) FFAR1PPARGPDE4APDE4BPDE4C
SCHEMBL13918237 0.84 MAPT (0.50)
SCHEMBL4521070 0.82 CYSLTR2 (0.52) PPARGCYSLTR2
SCHEMBL4521068 0.82 CYSLTR2 (0.52) PPARGCYSLTR2
SCHEMBL4525782 0.82 MAPT (0.47) CYSLTR2
SCHEMBL4508320 0.82 CYSLTR2 (0.56) FFAR1PPARGCYSLTR2
SCHEMBL4527322 0.82 CYSLTR2 (0.56) FFAR1PPARGCYSLTR2
SCHEMBL4528314 0.82 CYSLTR2 (0.48) PPARGCYSLTR2
SCHEMBL13918505 0.82 CYSLTR2 (0.52) PPARGCYSLTR2

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 FFAR1 832/4885PPARG 194/4885PTPN11 2056/4885

“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.