SCHEMBL6035486

SCHEMBL6035486

COc1cc(CC(=O)O)cc(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.61
LTB4R2 Q9NPC1 2/20 0.61
MAOB P27338 3/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
FFAR1 O14842 2/20 0.54
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
PPARA Q07869 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
PTPN1 P18031 1/20 0.51
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL2957881 0.92 MEN1 (0.67) LTB4RLTB4R2MAOBMEN1KMT2A
SCHEMBL16348239 0.91 MEN1 (0.65) LTB4RLTB4R2MAOBMEN1KMT2A
SCHEMBL9205498 0.89 LTB4R (0.68) LTB4RLTB4R2MAOBMEN1KMT2A
SCHEMBL3569849 0.86 PPARD (0.56) LTB4RLTB4R2FFAR1PPARGPPARD
SCHEMBL3566811 0.85 FFAR1 (0.59) LTB4RLTB4R2MAOBFFAR1PPARG
SCHEMBL23906959 0.85 MAOB (0.79) MAOBMEN1KMT2AMRGPRX4L3MBTL1
SCHEMBL1592559 0.84 LTB4R (0.60) LTB4RLTB4R2MAOBMEN1KMT2A
SCHEMBL5132262 0.84 PLA2G4B (0.57) LTB4RLTB4R2MAOBMEN1KMT2A
SCHEMBL347352 0.83 PTGS1 (0.59) MEN1KMT2APPARGL3MBTL1NFKB1
SCHEMBL340452 0.83 MEN1 (0.84) MAOBMEN1KMT2AMRGPRX4TP53

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-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 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 (2 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD LTB4R 1352/4885LTB4R2 1188/4885MAOB 3838/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 LTB4R 1376/4885LTB4R2 1747/4885MAOB 954/4885

“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.