SCHEMBL4433180

SCHEMBL4433180

COc1ccc(-c2cccc(Oc3cccc(CC(=O)O)c3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.60
FFAR4 Q5NUL3 3/20 0.60
THRA P10827 2/20 0.53
THRB P10828 2/20 0.53
HSD17B2 P37059 1/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.52
PTGS1 P23219 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
PTGER4 P35408 1/20 0.50
SLC13A5 Q86YT5 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4435032 0.92 FFAR1 (0.61) FFAR1FFAR4THRATHRBHSD17B2
SCHEMBL4201864 0.90 PTGS1 (0.58) FFAR1PTGDR2PTGS1AKR1C3AKR1C2
SCHEMBL4433415 0.87 RXRA (0.58) FFAR1FFAR4THRATHRBSLC13A5
SCHEMBL5122549 0.87 FFAR1 (0.58) FFAR1FFAR4THRATHRBPTGER4
SCHEMBL8784786 0.86 CTBP2 (0.60) FFAR1FFAR4PTGDR2PTGS1AKR1C3
SCHEMBL4207967 0.86 PTGS1 (0.59) FFAR1FFAR4THRATHRBHSD17B2
SCHEMBL4433185 0.85 PTGDR2 (0.51) FFAR1FFAR4THRATHRBPTGDR2
SCHEMBL4441221 0.85 MRGPRX4 (0.56) FFAR1FFAR4THRATHRBPTGDR2
SCHEMBL5123906 0.85 FFAR1 (0.62) FFAR1FFAR4THRATHRBPTGDR2
SCHEMBL5132377 0.85 FFAR1 (0.62) FFAR1FFAR4THRATHRBKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD FFAR1 30/4885FFAR4 42/4885THRA 126/4885

“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.