SCHEMBL710418

SCHEMBL710418

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
KCNQ2 O43526 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.49
KDM4A O75164 1/20 0.49
BCHE P06276 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46

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
SCHEMBL7868722 0.91 LMNA (0.49) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL4935067 0.85 LMNA (0.61) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL9872058 0.84 ALDH1A1 (0.53) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL15828137 0.84 LMNA (0.53) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL9240062 0.84 CYP2C19 (0.48) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL8079874 0.84 CYP2C19 (0.48) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL3516105 0.83 LMNA (0.56) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL1715 0.83 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL20769804 0.83 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP
SCHEMBL65737 0.83 LMNA (0.59) LMNAHSD17B10ALDH1A1POLBCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0926127-B1 Process for the preparation of acyclic alpha,beta-dicarbonyl compounds CLARIANT FRANCE SA (FR) 2001-10-04 EP claimed
EP-0273202-B1 Use of hydroxycarboxylic acids to enhance therapeutic effects of topical compositions for fungal infections and pigmented spots. SCOTT EUGENE J VAN (US) 1995-06-21 EP claimed
EP-1727516-B1 COMPOSITION COMPRISING AN HDAC INHIBITOR IN COMBINATION WITH A RETINOID DSM IP ASSETS BV (NL) 2014-05-14 EP disclosed
CN-101914023-B Preparation method of optically pure 4-aryl-2-hydroxy-butyric ester UNIV SHANGHAI JIAOTONG 2013-05-22 CN disclosed
US-8124802-B2 e.g. N-methyl-N-propargyl-4-hydroxybenzyl amine; monoamine oxidase inhibitors; are mediated via a peripheral (i.e., non-CNS) mechanism; antidiabetic agent, metabolic disordes, obesity, insulin resistance JENRIN DISCOVERY, INC. (US) 2012-02-28 US disclosed
WO-2011009849-A2 METHOD FOR PREPARING OPTICALLY ACTIVE HYDROXY ACID ESTERS BASF SE (DE) 2011-01-27 WO disclosed
EP-1437401-B1 Oxidoreductase IEP GMBH (DE) 2010-12-15 EP disclosed
CN-101914023-A Preparation method of optically pure 4-aryl-2-hydroxy-butyric ester UNIV SHANGHAI JIAOTONG 2010-12-15 CN disclosed
US-20100286278-A1 Composition comprising an HDAC inhibitor in combination with a retinoid DSM IP ASSETS B.V. (NL) 2010-11-11 US disclosed
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
US-20080227868-A1 Composition Comprising an Hdac Inhibitor in Combination with a Retinoid DSM IP ASSETS B.V. (NL) 2008-09-18 US disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 EP disclosed
WO-2005092283-A1 COMPOSITION COMPRISING AN HDAC INHIBITOR IN COMBINATION WITH A RETINOID DSM IP ASSETS B.V. (NL) 2005-10-06 WO disclosed
US-20050191735-A1 Oxidoreductase IEP GMBH (DE) 2005-09-01 US disclosed
EP-1437401-A1 Oxidoreductase Juelich Enzyme Products GmbH (DE) 2004-07-14 EP disclosed
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 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 (3 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-20100286278-A1 Composition comprising an HDAC inhibitor in combination with a retinoid HDAC7, HDAC5, HDAC1 LMNA 284/4885HSD17B10 192/4885ALDH1A1 259/4885
US-20080227868-A1 Composition Comprising an Hdac Inhibitor in Combination with a Retinoid HDAC7, HDAC5, HDAC1 LMNA 284/4885HSD17B10 192/4885ALDH1A1 259/4885
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC LMNA 2112/4885HSD17B10 888/4885ALDH1A1 2963/4885

“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.