SCHEMBL3237472

SCHEMBL3237472

O=C(O)c1ccc2c(O)c(C(=O)O)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
LDHA P00338 1/20 0.59
LCK P06239 2/20 0.50
ACE2 Q9BYF1 2/20 0.46
KDM4E B2RXH2 3/20 0.44
PTPN11 Q06124 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
PTGS2 P35354 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SELL P14151 1/20 0.44

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
Hydrochloric Acid SCHEMBL10826707 0.84 PTPN1 (0.59) PTPN1LDHALCKACE2KDM4E
SCHEMBL3391145 0.83 LCK (0.65) PTPN1LCKKDM4EPTPN11CA12
SCHEMBL3391531 0.83 LDHA (0.61) PTPN1LDHALCKKDM4ECA12
Hydrochloric Acid SCHEMBL10957441 0.82 PTPN1 (0.57) PTPN1LDHALCKACE2KDM4E
Hydrochloric Acid SCHEMBL9812987 0.82 PTPN1 (0.57) PTPN1LDHALCKACE2KDM4E
SCHEMBL7088722 0.82 PTPN1 (0.64) PTPN1KDM4ECA12CA1CA2
SCHEMBL6423930 0.81 PTPN1 (0.56) PTPN1LDHALCKACE2KDM4E
SCHEMBL812629 0.81 PTPN1 (0.61) PTPN1LCKACE2KDM4EPTPN11
SCHEMBL30879496 0.81 PTPN1 (0.61) PTPN1LCKACE2KDM4EPTPN11
Carboxynaphthol SCHEMBL29082492 0.81 LDHA (0.69) PTPN1LDHAKDM4EPTPN11CA12

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 4 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
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

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 PTPN1 3587/4885LDHA 3384/4885LCK 1033/4885

“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.