SCHEMBL19387238

SCHEMBL19387238

COC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OC)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.70
CA2 P00918 6/20 0.70
CA12 O43570 5/20 0.70
CA9 Q16790 5/20 0.70
CA14 Q9ULX7 5/20 0.70
CA7 P43166 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
TSHR P16473 1/20 0.65
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.61
PTPN1 P18031 1/20 0.61
EGFR P00533 1/20 0.59
ERN1 O75460 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.59
KDM4E B2RXH2 1/20 0.58
SETD7 Q8WTS6 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
XDH P47989 1/20 0.56
CASP3 P42574 1/20 0.55

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
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 1.00 CA1 (0.70) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.97 CA1 (0.67) CA1CA2CA12CA9CA14
SCHEMBL16749645 0.93 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL10009170 0.93 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL27589486 0.93 TSHR (0.64) CA1CA2CA12CA9CA14
SCHEMBL28993944 0.92 CA1 (0.80) CA1CA2CA12CA9CA14
SCHEMBL23600 0.92 CA1 (0.80) CA1CA2CA12CA9CA14
SCHEMBL4668655 0.91 CA1 (0.87) CA1CA2CA12CA9CA14
SCHEMBL13019491 0.91 TDP1 (0.87) CA1CA2CA12CA9CA14
SCHEMBL8365053 0.91 CA1 (0.87) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250338-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-08-10 US disclosed
US-20230250338-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-08-10 US disclosed
US-10953393-B2 Stabilization of active metal catalysts at metal-organic framework nodes for highly efficient organic transformations THE UNIVERSITY OF CHICAGO (US) 2021-03-23 US disclosed
US-10953393-B2 Stabilization of active metal catalysts at metal-organic framework nodes for highly efficient organic transformations THE UNIVERSITY OF CHICAGO (US) 2021-03-23 US disclosed
US-10301331-B2 Separation of metal-organic frameworks COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2019-05-28 US disclosed
US-20180361370-A1 STABILIZATION OF ACTIVE METAL CATALYSTS AT METAL-ORGANIC FRAMEWORK NODES FOR HIGHLY EFFICIENT ORGANIC TRANSFORMATIONS NATIONAL SCIENCE FOUNDATION 2018-12-20 US disclosed
US-20180201629-A1 SEPARATION OF METAL-ORGANIC FRAMEWORKS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-07-19 US disclosed
US-20180201629-A1 SEPARATION OF METAL-ORGANIC FRAMEWORKS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-07-19 US disclosed
US-9771517-B2 Liquid-crystal optical modulation element DIC CORPORATION (JP) 2017-09-26 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 (4 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-10953393-B2 Stabilization of active metal catalysts at metal-organic framework nodes for highly efficient organic transformations SBK1, SIK1, SIK2 CA1 442/4885CA2 79/4885CA12 357/4885
US-20180361370-A1 STABILIZATION OF ACTIVE METAL CATALYSTS AT METAL-ORGANIC FRAMEWORK NODES FOR HIGHLY EFFICIENT ORGANIC TRANSFORMATIONS SBK1, SIK1, SIK2 CA1 442/4885CA2 79/4885CA12 357/4885
US-20180201629-A1 SEPARATION OF METAL-ORGANIC FRAMEWORKS HNRNPF, HNRNPU, PUF60 CA1 577/4885CA2 1582/4885CA12 385/4885
US-10301331-B2 Separation of metal-organic frameworks HNRNPF, HNRNPU, PUF60 CA1 577/4885CA2 1582/4885CA12 385/4885

“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.