SCHEMBL4530835

SCHEMBL4530835

O=C(O)COc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.77
PPARG P37231 2/20 0.77
FFAR1 O14842 6/20 0.72
GSTP1 P09211 1/20 0.62
ALOX15 P16050 1/20 0.61
ADAMTS5 Q9UNA0 1/20 0.60
FFAR4 Q5NUL3 2/20 0.59
PPARA Q07869 1/20 0.58
MMP12 P39900 1/20 0.58
AKR1B1 P15121 1/20 0.57
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP14 P50281 1/20 0.56
ADAM17 P78536 1/20 0.56
PLA2G4B P0C869 1/20 0.56
PTGER4 P35408 1/20 0.56
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56

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
SCHEMBL5699371 0.95 PPARD (0.74) PPARDPPARGFFAR1GSTP1ALOX15
SCHEMBL1115002 0.90 PPARG (0.71) PPARDPPARGFFAR1ALOX15FFAR4
SCHEMBL422442 0.89 ALOX15 (0.76) PPARDPPARGFFAR1ALOX15PPARA
SCHEMBL5205577 0.87 FFAR1 (0.72) PPARDPPARGFFAR1GSTP1FFAR4
SCHEMBL1756380 0.87 FFAR1 (0.72) PPARDPPARGFFAR1GSTP1FFAR4
Bicarbonate SCHEMBL9638235 0.86 FFAR1 (0.71) PPARDPPARGFFAR1GSTP1FFAR4
SCHEMBL1746856 0.86 PPARD (0.81) PPARDPPARGFFAR1FFAR4PPARA
SCHEMBL13918253 0.84 FFAR1 (0.61) PPARDPPARGFFAR1GSTP1ADAMTS5
SCHEMBL1746845 0.84 FFAR1 (1.00) FFAR1FFAR4AKR1B1PTGER4
SCHEMBL2780802 0.84 ALOX15 (0.71) PPARDPPARGFFAR1ALOX15PPARA

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 2 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-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 PPARD 59/4885PPARG 194/4885FFAR1 832/4885

“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.