SCHEMBL4510798

SCHEMBL4510798

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.53
POLB P06746 2/20 0.52
CASP6 P55212 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PPARG P37231 7/20 0.48
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 2/20 0.46
PLA2G4B P0C869 1/20 0.46
LMNA P02545 1/20 0.46
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL4513160 0.89 FFAR1 (0.47) CYSLTR2PPARGPDE4APDE4BPDE4C
SCHEMBL4522699 0.86 POLB (0.48) CYSLTR2POLBCASP6L3MBTL1TDP1
SCHEMBL14131791 0.85 POLB (0.47) POLBCASP6L3MBTL1TDP1PPARG
SCHEMBL5118136 0.84 POLB (0.46) CYSLTR2POLBCASP6L3MBTL1TDP1
SCHEMBL4518834 0.82 CYSLTR2 (0.46) CYSLTR2POLBCASP6L3MBTL1TDP1
SCHEMBL4526325 0.82 CYSLTR2 (0.49) CYSLTR2POLBCASP6L3MBTL1TDP1
SCHEMBL13918511 0.81 CYSLTR2 (0.62) CYSLTR2POLBPPARGPPARDPPARA
SCHEMBL4517384 0.81 CYSLTR2 (0.46) CYSLTR2POLBCASP6PPARGKMT2A
SCHEMBL4373451 0.80 KMT2A (0.61) L3MBTL1TDP1PPARGKMT2AMEN1
SCHEMBL13918382 0.80 CYSLTR2 (0.66) CYSLTR2POLBCASP6L3MBTL1TDP1

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 1426/4885POLB 2956/4885CASP6 858/4885

“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.