SCHEMBL491093

SCHEMBL491093

O=C(O)C(Cc1cccc(O)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.58
CTBP2 P56545 1/20 0.50
ENPP2 Q13822 1/20 0.50
IDO1 P14902 1/20 0.50
HIF1A Q16665 1/20 0.47
LDHA P00338 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
OPRK1 P41145 1/20 0.46
CYP1A2 P05177 2/20 0.46
MDM2 Q00987 1/20 0.46
CYP3A4 P08684 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL2570468 0.89 GRIA2 (0.56) GRIA2CTBP2ENPP2HIF1ALDHA
SCHEMBL2865019 0.85 KDM6B (0.61) GRIA2CTBP2ENPP2IDO1HIF1A
SCHEMBL6692662 0.85 GRIA2 (0.51) GRIA2CTBP2ENPP2HIF1ADRD2
SCHEMBL2862796 0.85 KDM6B (0.61) GRIA2CTBP2ENPP2IDO1HIF1A
SCHEMBL4356402 0.83 GRIA2 (0.82) GRIA2HIF1APKMALOX15
SCHEMBL22721343 0.83 GRIA2 (0.82) GRIA2HIF1APKMALOX15
SCHEMBL13537526 0.83 GRIA2 (0.82) GRIA2HIF1APKMALOX15
SCHEMBL458080 0.83 GRIA2 (0.82) GRIA2HIF1APKMALOX15
SCHEMBL2498139 0.83 GRIA2 (0.54) GRIA2CTBP2ENPP2HIF1AOPRK1
SCHEMBL3658555 0.83 GRIA2 (0.54) GRIA2CTBP2ENPP2HIF1AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268293-B2 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
US-8106233-B2 Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing MERCK PATENT GMBH (DE) 2012-01-31 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
US-20050032787-A1 Pheny (alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity SIGMA-TAU INDUSTRIES FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-02-10 US disclosed
EP-1465858-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-10-13 EP disclosed
US-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 US disclosed
WO-2003059864-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-24 WO 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 (4 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-20080152603-A1 Antioxidants GPX4, GPX1, CAT GRIA2 3942/4885CTBP2 3295/4885ENPP2 2581/4885
US-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA GRIA2 725/4885CTBP2 1089/4885ENPP2 2657/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 GRIA2 4396/4885CTBP2 3386/4885ENPP2 2843/4885
US-20050032787-A1 Pheny (alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity LIPC, CPT1A, GPR119 GRIA2 1459/4885CTBP2 1869/4885ENPP2 464/4885

“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.