SCHEMBL47856

SCHEMBL47856

COC(=O)Oc1ccccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
HSD17B10 Q99714 7/20 1.00
HPGD P15428 5/20 1.00
ALDH1A1 P00352 7/20 0.67
ESR1 P03372 1/20 0.67
ITGB3 P05106 1/20 0.67
ITGA2B P08514 1/20 0.67
HMGB1 P09429 1/20 0.67
TSHR P16473 1/20 0.67
GGT1 P19440 1/20 0.67
PTGS1 P23219 1/20 0.67
PTGS2 P35354 1/20 0.67
BLM P54132 1/20 0.67
NAPRT Q6XQN6 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAPT P10636 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 4/20 0.58

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
SCHEMBL1721235 0.88 KDM4E (0.78) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL4393207 0.85 HSD17B10 (0.73) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL13920473 0.85 KDM4E (0.73) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL1913800 0.84 KDM4E (0.72) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL981154 0.84 KDM4E (0.72) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL11925422 0.83 KDM4E (0.70) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL1914167 0.83 HSD17B10 (0.71) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL844727 0.82 KDM4E (0.70) KDM4EHSD17B10HPGDALDH1A1ESR1
Aspirin SCHEMBL29706614 0.82 KDM4E (0.96) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL4384041 0.82 HSD17B10 (0.70) KDM4EHSD17B10HPGDALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042899-A1 Method of Treating Transplant Rejection and Autoimmune Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-15 US disclosed
EP-2149586-B1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL CO (JP) 2018-01-03 EP disclosed
CN-104619474-B Method for producing plastic molded parts with UV-curing paint and the molded parts 科思创德国股份有限公司 2016-12-21 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-20140050694-A1 Method of Treating Transplant Rejection and Autoimmune Diseases WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-02-20 US 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
US-8128782-B2 Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-03-06 US disclosed
WO-2011098839-A2 DI-ASPIRIN DERIVATIVES THE UNIVERSITY OF WOLVERHAMPTON (GB) 2011-08-18 WO disclosed
US-20100160494-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2010-06-24 US disclosed
EP-2149586-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-03 EP disclosed
EP-2006716-A1 FILM FOR DISPLAY, POLARIZING PLATE AND METHOD FOR PRODUCING THE SAME, AND LIQUID CRYSTAL DISPLAY Konica Minolta Opto, Inc. (JP) 2008-12-24 EP disclosed
EP-1238961-B1 Process for the preparation of benzyl esters of hydroxybenzoic acids BAYER CHEMICALS AG (DE) 2005-01-26 EP 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-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

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-20130035317-A1 Di-Aspirin Derivatives SDHA, DLD, DPYD KDM4E 2764/4885HSD17B10 987/4885HPGD 21/4885
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 KDM4E 202/4885HSD17B10 16/4885HPGD 424/4885

“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.