SCHEMBL6506722

SCHEMBL6506722

CCC(=O)C(Cc1ccc(O)cc1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.62
ESR2 Q92731 3/20 0.62
MIF P14174 3/20 0.50
PTPRB P23467 1/20 0.49
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
LDHA P00338 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS2 P35354 2/20 0.42
SLC7A5 Q01650 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
SCHEMBL6380182 0.88 ESR1 (0.67) ESR1ESR2MIFPTPRBKMT2A
SCHEMBL11308492 0.86 ESR1 (0.50) ESR1ESR2LDHASLC7A5
SCHEMBL3779421 0.86 NOS2 (0.48) ESR1ESR2PTPRBKMT2ATSHR
SCHEMBL5452680 0.85 MMP8 (0.55) PTPRBKMT2AMDM2PPARGPPARD
SCHEMBL6506164 0.83 ESR1 (0.61) ESR1ESR2MIFPTPRBKMT2A
SCHEMBL17479471 0.83 PTPRB (0.46) ESR1ESR2PTPRBKMT2ATSHR
SCHEMBL3778280 0.82 PTPRB (0.51) ESR1ESR2PTPRBPPARGPPARD
SCHEMBL3779962 0.82 PTPRB (0.51) ESR1ESR2PTPRBNPSR1PPARG
SCHEMBL11457456 0.81 ESR1 (0.50) ESR1ESR2KMT2ALDHASLC7A5
SCHEMBL6507938 0.81 ESR1 (0.51) ESR1ESR2MIFPTPRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed
US-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 US disclosed
EP-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 EP 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA ESR1 944/4885ESR2 275/4885MIF 2545/4885

“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.