SCHEMBL3239130

SCHEMBL3239130

O=C(O)c1cccc2c(C(=O)O)c(O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HMGB1 P09429 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
KDM4A O75164 2/20 0.46
EGLN1 Q9GZT9 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL29996206 0.84 NR4A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL464977 0.84 NR4A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL31401786 0.84 NR4A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL3388914 0.84 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL3238461 0.83 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3389447 0.82 NR4A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL30388521 0.82 NR4A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL11857852 0.81 NR4A1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL10012443 0.81 NR4A1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL27985 0.81 NR4A1 (0.73) 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 11 patents. 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
EP-1931617-A2 METHOD OF MAKING AROMATIC DIHYDROXY DIACID DIHALIDES AND PRECIPITATES RESULTING THEREFROM E.I.Du pont de nemours and company (US) 2008-06-18 EP claimed
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 claimed
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
EP-2042927-A1 COMPOSITION CONTAINING HYDROXYLATED CONDENSATION RESIN FOR FORMING FILM UNDER RESIST Nissan Chemical Industries, Ltd. (JP) 2009-04-01 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 (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 CA12 2175/4885CA1 2537/4885CA2 1415/4885

“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.