SCHEMBL3238016

SCHEMBL3238016

O=C(O)c1ccc(-c2ccc(C(=O)O)cc2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.61
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA9 Q16790 4/20 0.61
CA14 Q9ULX7 4/20 0.61
KDM4E B2RXH2 3/20 0.61
CA4 P22748 3/20 0.61
CA6 P23280 3/20 0.61
CA7 P43166 3/20 0.61
MAPT P10636 2/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
PTGS2 P35354 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HSD17B10 Q99714 3/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.52
TSHR P16473 1/20 0.52
SRD5A2 P31213 2/20 0.51
EGFR P00533 2/20 0.50

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
SCHEMBL26981142 0.98 KDM4E (0.64) CA12CA1CA2CA9CA14
SCHEMBL28211489 0.92 HSD17B10 (0.58) CA12CA1CA2CA9CA14
SCHEMBL3663963 0.89 POLB (0.59) CA12CA1CA2CA9CA14
SCHEMBL2558827 0.88 HSD17B1 (0.57) CA12CA1CA2CA9CA14
SCHEMBL5937383 0.88 SRD5A2 (0.58) CA12CA1CA2CA9CA14
SCHEMBL4428101 0.88 BCL2L1 (0.62) CA12CA1CA2CA9CA14
SCHEMBL5652175 0.88 ALOX5 (0.61) CA12CA1CA2CA9CA14
SCHEMBL28085220 0.87 KDM4E (0.52) CA12CA1CA2CA9CA14
SCHEMBL29133892 0.86 TP53 (0.57) CA12CA1CA2CA9CA14
SCHEMBL2771199 0.86 CA12 (0.73) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801336-B Functionalization of metal organic framework material UiO-67-4Me, functionalized product and application thereof 中山大学 2022-06-24 CN claimed
CN-113801336-A Functionalization of metal organic framework material UiO-67-4Me, functionalized product and application thereof 中山大学 2021-12-17 CN 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 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
CN-113801336-B Functionalization of metal organic framework material UiO-67-4Me, functionalized product and application thereof 中山大学 2022-06-24 CN disclosed
CN-113801336-A Functionalization of metal organic framework material UiO-67-4Me, functionalized product and application thereof 中山大学 2021-12-17 CN disclosed
US-20210154625-A1 THIN FILM NANOCOMPOSITE MEMBRANES CONTAINING METAL-ORGANIC CAGES FOR DESALINATION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-05-27 US disclosed
CN-108456218-B Rare earth-organic porous material, preparation method thereof and application thereof in detection of neurological disease marker glutamic acid 浙江大学 2020-03-17 CN 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

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.