SCHEMBL3238461

SCHEMBL3238461

O=C(O)c1c(O)ccc2c(C(=O)O)c(O)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA12 O43570 4/20 0.59
CA7 P43166 4/20 0.59
CA9 Q16790 4/20 0.59
CA14 Q9ULX7 4/20 0.59
LDHA P00338 3/20 0.44
LDHB P07195 3/20 0.44
KDM4E B2RXH2 4/20 0.42
PTGS2 P35354 3/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
LCK P06239 2/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL3388914 0.87 CA12 (0.64) CA1CA2CA12CA7CA9
SCHEMBL14641012 0.87 LDHA (0.49) CA1CA2CA12CA7CA9
SCHEMBL2971000 0.85 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL29419955 0.85 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL29825058 0.85 SELL (0.57) CA1CA2CA12CA7CA9
SCHEMBL1174147 0.85 SELL (0.57) CA1CA2CA12CA7CA9
SCHEMBL3239130 0.83 CA12 (0.54) CA1CA2CA12CA7CA9
SCHEMBL28005838 0.83 CA12 (0.59) CA1CA2CA12CA7CA9
SCHEMBL3906154 0.83 ERN1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL15390823 0.82 CA12 (0.52) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188316-B2 Integrated process for the preparation of polybenzimidazole precursors E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-29 US claimed
US-20100160679-A1 INTEGRATED PROCESS FOR THE PREPARATION OF POLYBENZIMIDAZOLE PRECURSORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-24 US claimed
US-7253247-B2 Method of making aromatic dihydroxy diacid dihalides and precipitates resulting therefrom DUPONT SAFETY & CONSTRUCTION, INC. 2007-08-07 US claimed
US-20070015903-A1 Method of making aromatic dihydroxy diacid dihalides and precipitates resulting therefrom DUPONT SAFETY & CONSTRUCTION, INC. 2007-01-18 US claimed
CN-110746612-B Self-assembled organic molecular cage and preparation method thereof 中北大学 2021-07-30 CN disclosed
CN-110746612-A Self-assembled organic molecular cage and preparation method thereof 中北大学 2020-02-04 CN disclosed
US-8445175-B2 Composition containing hydroxylated condensation resin for forming resist underlayer film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-21 US disclosed
US-8445175-B2 Composition containing hydroxylated condensation resin for forming resist underlayer film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-21 US disclosed
US-8188316-B2 Integrated process for the preparation of polybenzimidazole precursors E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-29 US disclosed
US-20100160679-A1 INTEGRATED PROCESS FOR THE PREPARATION OF POLYBENZIMIDAZOLE PRECURSORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-24 US disclosed
US-20090317740-A1 Composition containing hydroxylated condensation resin for forming resist underlayer film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-24 US disclosed
US-20090317740-A1 Composition containing hydroxylated condensation resin for forming resist underlayer film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-24 US disclosed
US-20070015896-A1 Dihydroxy aramid polymers E. I. DU PONT DE NEMOURS AND COMPANY 2007-01-18 US disclosed
US-20070015896-A1 Dihydroxy aramid polymers E. I. DU PONT DE NEMOURS AND COMPANY 2007-01-18 US disclosed
US-20070015896-A1 Dihydroxy aramid polymers E. I. DU PONT DE NEMOURS AND COMPANY 2007-01-18 US disclosed
US-20070015903-A1 Method of making aromatic dihydroxy diacid dihalides and precipitates resulting therefrom DUPONT SAFETY & CONSTRUCTION, INC. 2007-01-18 US disclosed
US-20070015903-A1 Method of making aromatic dihydroxy diacid dihalides and precipitates resulting therefrom DUPONT SAFETY & CONSTRUCTION, INC. 2007-01-18 US disclosed
US-20070015903-A1 Method of making aromatic dihydroxy diacid dihalides and precipitates resulting therefrom DUPONT SAFETY & CONSTRUCTION, INC. 2007-01-18 US disclosed
WO-2007008888-A2 METHOD OF MAKING AROMATIC DIHYDROXY DIACID DIHALIDES AND PRECIPITATES RESULTING THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-18 WO disclosed
WO-2007008889-A2 DIHYDROXY ARAMID POLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-18 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-20100160679-A1 INTEGRATED PROCESS FOR THE PREPARATION OF POLYBENZIMIDAZOLE PRECURSORS DDC, DDT, PDCD2L CA1 2537/4885CA2 1415/4885CA12 2175/4885

“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.