SCHEMBL334348

SCHEMBL334348

COC(=O)Cc1ccc(C)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
ALDH1A1 P00352 3/20 0.63
GFER P55789 1/20 0.63
HSP90AB1 P08238 1/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
TSHR P16473 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
YWHAG P61981 1/20 0.46
SLC7A5 Q01650 1/20 0.44
NFKB1 P19838 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TLR7 Q9NYK1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RGS12 O14924 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2127019 0.86 GAA (0.68) GAAALDH1A1GFERHSP90AB1NPC1
SCHEMBL30096935 0.86 GAA (0.68) GAAALDH1A1GFERHSP90AB1NPC1
SCHEMBL29446278 0.85 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL1786183 0.85 NPC1 (0.63) GAAALDH1A1GFERHSP90AB1NPC1
SCHEMBL3668882 0.85 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL1008790 0.84 YWHAG (0.53) GAAALDH1A1GFERNPC1RAB9A
Methyl Alcohol SCHEMBL27946196 0.84 GAA (0.70) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL27972225 0.83 APP (0.51) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL8146212 0.82 GAA (0.63) GAAALDH1A1GFERHSP90AB1NPC1
SCHEMBL14531746 0.81 GAA (0.61) GAAALDH1A1GFERHSP90AB1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296914-B Derivatives with PPAR agonist activity SHIONOGI & CO 2012-07-18 CN disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
CN-101296914-A Derivatives with PPAR agonist activity SHIONOGI & CO (JP) 2008-10-29 CN disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1887000-A1 ARYLACETATE DERIVATIVE HAVING ISOXAZOLE SKELETON Shionogi Co., Ltd. (JP) 2008-02-13 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
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG GAA 4712/4885ALDH1A1 1821/4885GFER 2758/4885
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton CYP2A7, CYP4X1, HAX1 GAA 2743/4885ALDH1A1 877/4885GFER 2259/4885

“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.