SCHEMBL2624952

SCHEMBL2624952

COC(=O)c1cc(O)cc(C(C)=O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.76
CA1 P00915 5/20 0.76
CA2 P00918 5/20 0.76
CA7 P43166 5/20 0.76
CA9 Q16790 5/20 0.76
CA14 Q9ULX7 5/20 0.76
CA5A P35218 1/20 0.64
LMNA P02545 4/20 0.55
KDM4E B2RXH2 4/20 0.55
XDH P47989 2/20 0.55
POLB P06746 2/20 0.55
GAA P10253 1/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FUT7 Q11130 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL46504 0.91 CA12 (0.91) CA12CA1CA2CA7CA9
SCHEMBL4731536 0.91 CA1 (0.60) CA12CA1CA2CA7CA9
Methyl 3,5-Dihydroxybenzoate SCHEMBL38869 0.87 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL7307023 0.84 CA5A (0.89) CA12CA1CA2CA7CA9
SCHEMBL14301421 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3351858 0.83 ATM (0.53) CA12CA1CA2CA7CA9
SCHEMBL17274803 0.83 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL1174380 0.83 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL31455886 0.83 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL147169 0.82 CA1 (0.71) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159841-A1 MACROMOLECULAR CORROSION (MCIN) INHIBITORS: STRUCTURES, METHODS OF MAKING AND USING THE SAME POLNOX CORPORATION 2023-05-25 US disclosed
US-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 US disclosed
US-20180201727-A1 FUNCTIONALIZED POLYESTER POLYMERS AND FILM ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2018-07-19 US disclosed
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2018-03-22 US disclosed
US-20170313652-A1 Poly-Cyanostilbene Macrocycles NATIONAL SCIENCE FOUNDATION 2017-11-02 US disclosed
US-9701621-B2 Poly-cyanostilbene macrocycles INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-07-11 US disclosed
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-06-29 US disclosed
US-9611279-B2 Zinc complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-04-04 US disclosed
US-9550787-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-01-24 US disclosed
US-20160222013-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2016-08-04 US disclosed
US-8980925-B2 Antimicrobial amphiphiles and methods for their use JAMES MADISON INNOVATIONS, INC. (US) 2015-03-17 US disclosed
US-20150030616-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2015-01-29 US disclosed
US-8809320-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-19 US disclosed
US-8802667-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-12 US disclosed
US-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE James Madison Innovations, Inc, (US) 2014-05-29 US disclosed
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-11-14 US disclosed
US-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-10-10 US disclosed
US-20120100583-A1 Enzymatic Synthesis of Polymers UNIVERSITY OF MASSACHUSETTS (US) 2012-04-26 US disclosed
US-20120100583-A1 Enzymatic Synthesis of Polymers UNIVERSITY OF MASSACHUSETTS (US) 2012-04-26 US disclosed
US-20100310647-A1 Enzymatic Synthesis of Polymers UNIVERSITY OF MASSACHUSETTS (US) 2010-12-09 US 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 (11 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-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA12 2457/4885CA1 1583/4885CA2 2063/4885
US-20100310647-A1 Enzymatic Synthesis of Polymers PNKP, MGAM, COASY CA12 1947/4885CA1 1977/4885CA2 2330/4885
US-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM ITGB7, ITGAM, ITGA4 CA12 2633/4885CA1 3880/4885CA2 3260/4885
US-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE ANXA5, ANXA4, ANXA6 CA12 3743/4885CA1 4236/4885CA2 3241/4885
US-20160222013-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA12 2457/4885CA1 1583/4885CA2 2063/4885
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA12 2457/4885CA1 1583/4885CA2 2063/4885
US-20150030616-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA12 2457/4885CA1 1583/4885CA2 2063/4885
US-20170313652-A1 Poly-Cyanostilbene Macrocycles PCBP1, HCCS, ACVR2B CA12 59/4885CA1 1305/4885CA2 1045/4885
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA12 2457/4885CA1 1583/4885CA2 2063/4885
US-20230159841-A1 MACROMOLECULAR CORROSION (MCIN) INHIBITORS: STRUCTURES, METHODS OF MAKING AND USING THE SAME MB, NCLN, CPN1 CA12 34/4885CA1 15/4885CA2 201/4885
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA12 2457/4885CA1 1583/4885CA2 2063/4885

“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.