SCHEMBL27642

SCHEMBL27642

O=C(O)C(C(=O)O)(C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 4/20 0.45
KCNN4 O15554 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL3233296 0.85 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL1667198 0.78 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL11228684 0.78 ELANE (0.45) CYP1A2MAPTALDH1A1KCNN4ALOX15
SCHEMBL9617044 0.77 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL45520 0.77 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL226184 0.77 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL1666976 0.76 CES1 (0.61) CYP1A2MAPTKMT2AALDH1A1TSHR
SCHEMBL29206242 0.75 CYP1A2 (0.36) CYP1A2CYP2D6ALDH1A1TSHRCYP2C9
Benzylic Acid SCHEMBL7066 0.74 CYP2C9 (0.74) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL21269593 0.74 CYP1A2 (0.54) CYP1A2CYP2D6MAPTKMT2AALDH1A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276127-A Crosslinked polyester from polyfunctional acids and alcohols MITSUBISHI RAYON COMPANY LTD. (JP) 1994-01-04 US claimed
EP-0471302-A2 Polyester resin for toner MITSUBISHI RAYON CO., LTD (JP) 1992-02-19 EP claimed
CN-115003401-A Regenerable VOC filter media with improved selectivity and efficacy 法国国立卡昂高等工程师学院 2022-09-02 CN disclosed
CN-114585362-A Therapeutic formulations and uses thereof 生态有限公司 2022-06-03 CN disclosed
CN-113912767-A Self-crosslinking polymer modified asphalt emulsion and preparation method thereof 湖北工业大学 2022-01-11 CN disclosed
EP-3022792-A1 LOW TEMPERATURE SOLID OXIDE CELLS FCET, INC. (US) 2016-05-25 EP disclosed
US-9045387-B2 Oxidative homo-coupling reactions of aryl boronic acids using a porous copper metal-organic framework as a highly efficient heterogeneous catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-02 US disclosed
CN-102428057-B Oxidative homo-coupling reactions of aryl boronic acids using a porous copper metal-organic framework as a highly efficient heterogeneous catalyst UNIV CALIFORNIA 2015-03-25 CN disclosed
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
EP-2534723-A2 LOW TEMPERATURE ELECTROLYTES FOR SOLID OXIDE CELLS HAVING HIGH IONIC CONDUCTIVITY C-3 International, LLC (US) 2012-12-19 EP disclosed
US-20120130113-A1 OXIDATIVE HOMO-COUPLING REACTIONS OF ARYL BORONIC ACIDS USING A POROUS COPPER METAL-ORGANIC FRAMEWORK AS A HIGHLY EFFICIENT HETEROGENEOUS CATALYST BASF SE (DE) 2012-05-24 US disclosed
WO-2009126875-A2 PIG AND METHOD FOR APPLYING PROPHYLACTIC SURFACE TREATMENTS C-3 INTERNATIONAL, LLC (US) 2009-10-15 WO disclosed
EP-2083865-A2 METHODS FOR PROVIDING PROPHYLACTIC SURFACE TREATMENT FOR FLUID PROCESSING SYSTEMS AND COMPONENTS THEREOF C-3 International, Llc (US) 2009-08-05 EP disclosed
WO-2008130433-A2 METHODS FOR PROVIDING PROPHYLACTIC SURFACE TREATMENT FOR FLUID PROCESSING SYSTEMS AND COMPONENTS THEREOF C-3 INTERNATIONAL, LLC (US) 2008-10-30 WO disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed
US-5276127-A Crosslinked polyester from polyfunctional acids and alcohols MITSUBISHI RAYON COMPANY LTD. (JP) 1994-01-04 US disclosed
EP-0471302-A2 Polyester resin for toner MITSUBISHI RAYON CO., LTD (JP) 1992-02-19 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-20120130113-A1 OXIDATIVE HOMO-COUPLING REACTIONS OF ARYL BORONIC ACIDS USING A POROUS COPPER METAL-ORGANIC FRAMEWORK AS A HIGHLY EFFICIENT HETEROGENEOUS CATALYST AOC2, AOC3, SOD1 CYP1A2 151/4885CYP2D6 68/4885MAPT 4015/4885

“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.