SCHEMBL67941

SCHEMBL67941

COC(=O)c1cccc(-c2cccc(C(=O)OC)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.68
CA9 Q16790 2/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
ERN1 O75460 4/20 0.66
GABRG2 P18507 1/20 0.62
GABRB3 P28472 1/20 0.62
GABRA5 P31644 1/20 0.62
GABRA3 P34903 1/20 0.62
TSHR P16473 1/20 0.61
PLAU P00749 2/20 0.60
CDK8 P49336 1/20 0.60
LOXL2 Q9Y4K0 1/20 0.59
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
PDK2 Q15119 1/20 0.55
FNTA P49354 1/20 0.55
FNTB P49356 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
SCHEMBL27715902 0.98 CA12 (0.71) CA12CA9CA1CA2ERN1
SCHEMBL1221576 0.94 TSHR (0.67) CA12CA9CA1CA2ERN1
SCHEMBL29410906 0.94 TSHR (0.67) CA12CA9CA1CA2ERN1
SCHEMBL17348229 0.92 CA12 (0.60) CA12CA9CA1CA2ERN1
SCHEMBL3032014 0.92 KMO (0.63) CA12CA9CA1CA2ERN1
SCHEMBL3359577 0.92 CA12 (0.65) CA12CA9CA1CA2ERN1
Hydrochloric Acid SCHEMBL29506745 0.92 CA12 (0.65) CA12CA9CA1CA2ERN1
SCHEMBL68931 0.92 CA12 (0.69) CA12CA9CA1CA2ERN1
SCHEMBL7719381 0.91 CA12 (0.59) CA12CA9CA1CA2ERN1
SCHEMBL30285148 0.91 CA12 (0.59) CA12CA9CA1CA2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478563-A Method for quickly crystallizing isosorbide 国科温州研究院(温州生物材料与工程研究所) 2022-05-13 CN claimed
CN-114478563-A Method for quickly crystallizing isosorbide 国科温州研究院(温州生物材料与工程研究所) 2022-05-13 CN disclosed
US-20170255100-A1 DRY FILM STRUCTURE FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2017-09-07 US disclosed
US-20130022926-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2013-01-24 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
EP-0791026-B1 ARAMID COMPOSITION DU PONT (US) 1999-01-27 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0791026-A1 ARAMID COMPOSITION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-08-27 EP disclosed
US-5599623-A COPOLYAMIDE CONTAINING PARA-DIAMINOBENZENE, TEREPHTHALIC ACID, 3,3*-BIPHENYLDICARBOXYLIC ACID, OPTIONALLY CHLOROTEREPHTHALIC ACID; TENSILE STRENGTH, ROPES, CABLES, COMPOSITES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-04 US disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
WO-1996014350-A1 ARAMID COMPOSITION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-05-17 WO disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 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 (2 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CA12 1221/4885CA9 1228/4885CA1 550/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 CA12 610/4885CA9 1302/4885CA1 172/4885

“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.