SCHEMBL7008723

SCHEMBL7008723

COc1cc(C(=O)O)ccc1Oc1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.69
GPBAR1 Q8TDU6 4/20 0.69
CYSLTR2 Q9NS75 4/20 0.60
TTR P02766 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
BLM P54132 1/20 0.55

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
SCHEMBL7009714 0.89 CYSLTR1 (0.70) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7009377 0.88 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7717180 0.86 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9023100 0.85 CYSLTR1 (0.78) CYSLTR1GPBAR1CYSLTR2
SCHEMBL30444017 0.82 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL422355 0.82 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL6089995 0.82 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7010155 0.82 CYSLTR1 (0.80) CYSLTR1GPBAR1CYSLTR2
Hydrochloric Acid SCHEMBL7006935 0.81 CYSLTR1 (0.97) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL7005360 0.81 CYSLTR1 (0.71) CYSLTR1GPBAR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220373-A1 Therapeutic uses of PPAR mediators AVENTIS PHARMACEUTICALS PRODUCTS INC. 2003-11-27 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 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-20030220373-A1 Therapeutic uses of PPAR mediators PPARG, PPARA, PPARD CYSLTR1 297/4885GPBAR1 15/4885CYSLTR2 422/4885

“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.