SCHEMBL1697677

SCHEMBL1697677

CCCC(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.82
KMT2A Q03164 2/20 0.82
MEN1 O00255 1/20 0.82
RECQL P46063 1/20 0.82
HSD17B10 Q99714 7/20 0.62
HPGD P15428 5/20 0.62
ALDH1A1 P00352 7/20 0.61
ESR1 P03372 1/20 0.61
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
HMGB1 P09429 1/20 0.61
TSHR P16473 1/20 0.61
GGT1 P19440 1/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
BLM P54132 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 1/20 0.54
LMNA P02545 2/20 0.54

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
Valeryl Salycilate SCHEMBL6467137 0.90 KDM4E (1.00) KDM4EKMT2AMEN1RECQLHSD17B10
Valeryl Salycilate SCHEMBL31287342 0.90 KDM4E (1.00) KDM4EKMT2AMEN1RECQLHSD17B10
Diaspirin SCHEMBL30735506 0.89 KDM4E (0.75) KDM4EKMT2AMEN1RECQLHSD17B10
Diaspirin SCHEMBL40799 0.89 KDM4E (0.75) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL29406927 0.89 KDM4E (0.91) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL503905 0.89 KDM4E (0.91) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL1858148 0.87 KDM4E (0.88) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL6328818 0.87 KDM4E (0.88) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL725982 0.87 KDM4E (0.88) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL727072 0.87 KDM4E (0.88) KDM4EKMT2AMEN1RECQLHSD17B10

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
EP-1278517-B1 METHODS FOR IMPROVING SIZE AND APPEARANCE OF A WOUND AVOCET POLYMER TECHNOLOGIES IN (US) 2007-05-30 EP claimed
EP-3801496-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE Flagship Pioneering Innovations V, Inc. (US) 2021-04-14 EP disclosed
CN-104829757-B A kind of ingredient of solid catalyst of olefin polymerization acid esters compound containing bigcatkin willow and its preparation method and application 中国科学院化学研究所 2018-04-27 CN disclosed
US-9351980-B2 Di-aspirin derivatives THE UNIVERSITY OF WOLVERHAMPTON (GB) 2016-05-31 US disclosed
US-9351980-B2 Di-aspirin derivatives THE UNIVERSITY OF WOLVERHAMPTON (GB) 2016-05-31 US disclosed
US-9328057-B2 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE' FARMACEUTICI S.P.A. (IT) 2016-05-03 US disclosed
EP-2576495-A1 NOVEL DERIVATIVES OF MESALAZINE, PROCESS OF THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INTESTINAL INFLAMMATORY DISEASES Sofar SPA (IT) 2013-04-10 EP disclosed
US-20130035317-A1 Di-Aspirin Derivatives THE UNIVERISTY OF WOLVERHAMPTON (GB) 2013-02-07 US disclosed
US-20130035317-A1 Di-Aspirin Derivatives THE UNIVERISTY OF WOLVERHAMPTON (GB) 2013-02-07 US disclosed
WO-2011148297-A1 NOVEL DERIVATIVES OF MESALAZINE, PROCESS OF THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INTESTINAL INFLAMMATORY DISEASES SOFAR SPA (IT) 2011-12-01 WO disclosed
US-20030220497-A1 Novel diflunisal esters and related compounds THE UNIVERSITY OF QUEENSLAND 2003-11-27 US disclosed
US-20030157192-A1 Low temperature disinfectant/sterilant for medical devices and topical applications HEALTHPOINT, LTD. 2003-08-21 US disclosed
WO-2003066107-A1 DISINFECTANT/STERILISANT FOR MEDICAL DEVICES AND TOPICAL APPLICATIONS HEALTHPOINT, LTD. (US) 2003-08-14 WO disclosed
US-6600064-B2 Reacting dibenzyl ethers with alkylcarbonyloxybenzoic or alkoxycarbonyloxybenzoic acids in the presence of one or more acids as catalyst BAYER AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-6593365-B1 Method for treating and/or controlling thrombosis in a mammal, comprising administering to a mammal in need thereof an effective dosage of a compound having the formula: THE UNIVERSITY OF QUEENSLAND (AU) 2003-07-15 US disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed
EP-1238961-A1 Process for the preparation of benzyl esters of hydroxybenzoic acids Bayer Aktiengesellschaft (DE) 2002-09-11 EP disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO disclosed
WO-1998046234-A1 NOVEL DIFLUNISAL ESTERS AND RELATED COMPOUNDS THE UNIVERSITY OF QUEENSLAND (AU) 1998-10-22 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 (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-20030220497-A1 Novel diflunisal esters and related compounds HPGDS, ALOX12, ALOX15 KDM4E 3349/4885KMT2A 4790/4885MEN1 4715/4885
US-20030157192-A1 Low temperature disinfectant/sterilant for medical devices and topical applications HAO2, CUTA, ALDH7A1 KDM4E 2045/4885KMT2A 2852/4885MEN1 3992/4885
US-20130035317-A1 Di-Aspirin Derivatives SDHA, DLD, DPYD KDM4E 2764/4885KMT2A 2755/4885MEN1 3500/4885
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 KDM4E 202/4885KMT2A 513/4885MEN1 3487/4885

“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.