SCHEMBL4522472

SCHEMBL4522472

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
PPARG P37231 5/20 0.46
ESR1 P03372 1/20 0.44
PSEN1 P49768 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL4522699 0.89 POLB (0.48) FFAR1PPARGMEN1MAPTKMT2A
SCHEMBL4513160 0.88 FFAR1 (0.47) FFAR1PPARGESR1PDE4APDE4B
SCHEMBL8322921 0.78 CYP1A2 (0.48) ESR1ALDH1A1PDE4D
SCHEMBL13918237 0.78 MAPT (0.50) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL4521068 0.77 CYSLTR2 (0.52) PPARGMEN1ALDH1A1MAPTKMT2A
SCHEMBL4521070 0.77 CYSLTR2 (0.52) PPARGMEN1ALDH1A1MAPTKMT2A
SCHEMBL4525782 0.77 MAPT (0.47) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4510798 0.76 CYSLTR2 (0.53) FFAR1PPARGMEN1ALDH1A1MAPT
SCHEMBL13918505 0.76 CYSLTR2 (0.52) PPARGMEN1ALDH1A1MAPTKMT2A
SCHEMBL4528312 0.76 CYSLTR2 (0.48) PPARGMAPTKMT2A

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 FFAR1 832/4885PPARG 194/4885ESR1 2231/4885

“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.