SCHEMBL691628

SCHEMBL691628

COc1ccc(COc2cccc(C(=O)O)c2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
POLB P06746 1/20 0.55
TP53 P04637 2/20 0.52
RXRA P19793 1/20 0.52
USP2 O75604 1/20 0.52
FABP3 P05413 2/20 0.51
FABP4 P15090 2/20 0.51
FABP5 Q01469 2/20 0.51
PTGER1 P34995 2/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ABCB1 P08183 1/20 0.50
SCN9A Q15858 1/20 0.50
PLA2G4B P0C869 1/20 0.49

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
SCHEMBL29838082 0.89 HTR1A (0.49) RAB9ASMN1; SMN2NPC1POLBTP53
SCHEMBL8983017 0.89 HTR1A (0.48) RAB9ASMN1; SMN2NPC1POLBRXRA
SCHEMBL9356673 0.87 RAB9A (0.56) RAB9ASMN1; SMN2NPC1POLBTP53
SCHEMBL1388037 0.87 RXRA (0.60) RAB9ASMN1; SMN2NPC1POLBTP53
SCHEMBL691784 0.86 MMP9 (0.51) RAB9ASMN1; SMN2NPC1POLBABCB1
SCHEMBL1098255 0.86 RAB9A (0.55) RAB9ASMN1; SMN2NPC1POLBTP53
SCHEMBL14699947 0.86 NPC1 (0.55) RAB9ASMN1; SMN2NPC1POLBTP53
SCHEMBL1305739 0.85 PTGER1 (0.61) NPC1FABP3FABP4FABP5PTGER1
SCHEMBL23536856 0.84 PTGER1 (0.60) RAB9ANPC1RXRAPTGER1MRGPRX4
SCHEMBL5501764 0.84 SCN9A (0.59) RAB9ANPC1RXRAPTGER1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145425-B2 Cephem compound having catechol group SHIONOGI & CO., LTD. (JP) 2015-09-29 US disclosed
EP-2917223-A1 2 SUBSTITUTED CEPHEM COMPOUNDS Glaxo Group Limited (GB) 2015-09-16 EP disclosed
US-9125950-B2 Siderophore conjugate immunogenic compositions and vaccines UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-09-08 US disclosed
US-20150071961-A1 SIDEROPHORE CONJUGATE IMMUNOGENIC COMPOSITIONS AND VACCINES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-03-12 US disclosed
US-8834890-B2 Siderophore conjugate immunogenic compositions and vaccines UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-09-16 US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO disclosed
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-04-25 US disclosed
EP-2557082-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP Shionogi & Co., Ltd. (JP) 2013-02-13 EP disclosed
US-20120052087-A1 Siderophore Conjugate Immunogenic Compositions and Vaccines UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-01 US disclosed
EP-2421529-A2 SIDEROPHORE CONJUGATE IMMUNOGENIC COMPOSITIONS AND VACCINES University of Florida Research Foundation, Inc. (US) 2012-02-29 EP disclosed
WO-2010123845-A2 SIDEROPHORE CONJUGATE IMMUNOGENIC COMPOSITIONS AND VACCINES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-10-28 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 (1 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-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP COMT, EZH1, SETD7 RAB9A 2386/4885SMN1; SMN2 4252/4885NPC1 2565/4885

“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.