SCHEMBL5154732

SCHEMBL5154732

O=C(O)c1cccc(-c2ccc(CO)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.67
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
BCL2 P10415 1/20 0.54
ACMSD Q8TDX5 1/20 0.51
ERN1 O75460 1/20 0.51
FOLH1 Q04609 1/20 0.51
NR4A2 P43354 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
ADRB3 P13945 1/20 0.50
LTB4R2 Q9NPC1 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
SCHEMBL5519447 0.87 KMO (0.63) KMORXRARXRBBCL2ACMSD
Benzoic Acid SCHEMBL29163749 0.87 EPHX2 (0.57) KMOLMNAGAAEPHX2NR1H4
SCHEMBL29577419 0.87 KMO (0.87) KMOLMNAGAARXRARXRB
SCHEMBL14683877 0.87 KMO (0.87) KMOLMNAGAARXRARXRB
SCHEMBL1855849 0.86 KMO (0.67) KMOLMNAGAAEPHX2NR1H4
SCHEMBL3220396 0.85 KMO (0.91) KMOLMNAGAARXRARXRB
SCHEMBL437537 0.84 KMO (0.91) KMOLMNAGAARXRARXRB
SCHEMBL8581943 0.84 KMO (0.51) KMOEPHX2NR1H4BCL2FOLH1
Hydrochloric Acid SCHEMBL1853944 0.84 KMO (0.65) KMOLMNAGAAEPHX2NR1H4
SCHEMBL10243325 0.84 BCL2 (0.71) KMOLMNAGAAEPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007519744-A 2007-07-19 JP claimed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
US-9556103-B2 Biphenyl esters, their production and their use in the manufacture of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-01-31 US disclosed
US-20150361027-A1 Biphenyl Esters, Their Production and Their Use in the Manufacture of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2015-12-17 US disclosed
WO-2015191281-A1 BIPHENYL ESTERS, THEIR PRODUCTION AND THEIR USE IN THE MANUFACTURE OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-12-17 WO disclosed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
US-5700938-A Intermediates for imidazopyridine derivatives EISAI CO., LTD. (JP) 1997-12-23 US disclosed
US-5618969-A Intermediates for imidazopyridines EISAI CO., LTD. (JP) 1997-04-08 US disclosed
US-5608068-A Process for the preparation of imidazopyridine derivatives and intermediates EISAI CO., LTD. (JP) 1997-03-04 US disclosed
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed
US-5583229-A Process for the preparation of imidazopyridine derivatives EISAI CO., LTD. (JP) 1996-12-10 US disclosed
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5557002-A Process for the preparation of biphenyl containing intermediates useful in making angiotensin II receptor antagonists EISAI CO., LTD. (JP) 1996-09-17 US disclosed
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0627433-A1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE Eisai Co., Ltd. (JP) 1994-12-07 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-20150361027-A1 Biphenyl Esters, Their Production and Their Use in the Manufacture of Plasticizers CYP19A1, CYP1B1, CYP1A1 KMO 2075/4885LMNA 3165/4885GAA 3082/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R KMO 190/4885LMNA 3198/4885GAA 2559/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS KMO 1212/4885LMNA 1400/4885GAA 123/4885

“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.