SCHEMBL1499155

SCHEMBL1499155

O=C(O)c1cccc(Oc2cccc(O)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.76
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA6 P23280 1/20 0.68
CA9 Q16790 1/20 0.68
KMO O15229 1/20 0.63
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
RAB9A P51151 1/20 0.57
NR4A2 P43354 4/20 0.56
MRGPRX4 Q96LA9 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
KMT2A Q03164 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50

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
SCHEMBL30307454 0.90 AKR1C3 (0.92) AKR1C3CA12CA1CA2CA6
SCHEMBL68858 0.90 AKR1C3 (0.92) AKR1C3CA12CA1CA2CA6
SCHEMBL30449599 0.90 AKR1C3 (0.92) AKR1C3CA12CA1CA2CA6
SCHEMBL30266792 0.88 AKR1C3 (0.88) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL1635565 0.88 AKR1C3 (0.88) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL1498986 0.87 AKR1C3 (0.79) AKR1C3CA12CA1CA2CA6
SCHEMBL1499094 0.87 SRD5A2 (0.62) AKR1C3CA12CA1CA2CA6
SCHEMBL1042631 0.86 AKR1C3 (0.92) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL30266789 0.86 AKR1C3 (0.92) AKR1C3KMOKDM4ENPC1POLB
M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL29522837 0.86 AKR1C3 (1.00) AKR1C3KMOKDM4ENPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231327-B1 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG CHEMICAL LTD (KR) 2013-10-16 EP claimed
US-20110130574-A1 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG CHEM, LTD. (KR) 2011-06-02 US claimed
JP-2011508668-A 2011-03-17 JP claimed
JP-2011507695-A 2011-03-10 JP claimed
US-20100280265-A1 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG CHEM, LTD. (KR) 2010-11-04 US claimed
US-20100274039-A1 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG CHEM, LTD. (KR) 2010-10-28 US claimed
EP-2242579-A2 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG Chem, Ltd. (KR) 2010-10-27 EP claimed
EP-2231327-A2 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG Chem, Ltd. (KR) 2010-09-29 EP claimed
WO-2009088170-A2 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG CHEM, LTD. (KR) 2009-07-16 WO claimed
WO-2009084862-A2 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG CHEM, LTD. (KR) 2009-07-09 WO claimed
US-7196214-B2 Process for arylamine production XEROX CORPORATION (US) 2007-03-27 US claimed
US-20060111582-A1 Process for arylamine production XEROX CORPORATION (US) 2006-05-25 US claimed
US-9149019-B2 Method of eliminating cat urine odor JMR, LC (US) 2015-10-06 US disclosed
US-20130323194-A1 METHOD OF ELIMINATING CAT URINE ODOR CO2 TECHNOLOGIES, INC. (US) 2013-12-05 US disclosed
EP-1674444-B9 METHOD FOR PRODUCING ESTER CONDENSED PRODUCT JAPAN SCIENCE & TECH AGENCY (JP) 2013-11-20 EP disclosed
US-8563764-B2 Catalyst composition including zirconium compounds for esterfication reaction and method for preparing ester compounds LG CHEM, LTD. (KR) 2013-10-22 US disclosed
WO-2004022112-A1 DEVICE AND METHODS FOR MODIFYING AN ATMOSPHERE CO2 TECHNOLOGIES, INC. (US) 2004-03-18 WO disclosed
US-20040047760-A1 Device and methods for modifying an atmosphere LONGER SHELF LIFE, LLC 2004-03-11 US disclosed
US-20040015005-A1 Process for producing esterificated condensate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-01-22 US disclosed
EP-1334960-A1 PROCESS FOR PRODUCING ESTERIFICATED CONDENSATE Japan Science and Technology Corporation (JP) 2003-08-13 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 (5 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-20110130574-A1 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS ZDHHC9, ZDHHC7, CETP AKR1C3 283/4885CA12 428/4885CA1 422/4885
US-20100274039-A1 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS ZDHHC9, ZDHHC7, CETP AKR1C3 283/4885CA12 428/4885CA1 422/4885
US-20100280265-A1 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS ZDHHC9, ZDHHC7, CETP AKR1C3 283/4885CA12 428/4885CA1 422/4885
US-20060111582-A1 Process for arylamine production AOC2, UFM1, TYR AKR1C3 2668/4885CA12 4463/4885CA1 4851/4885
US-20040015005-A1 Process for producing esterificated condensate HACL2, ADH5, ADH1C AKR1C3 212/4885CA12 202/4885CA1 147/4885

“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.