SCHEMBL69041

SCHEMBL69041

O=C(O)c1ccc(Cc2ccccc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
FOLH1 Q04609 1/20 0.55
SRD5A2 P31213 2/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PTPN1 P18031 4/20 0.49
KDM4E B2RXH2 1/20 0.49
PTPN2 P17706 1/20 0.47
PTPN6 P29350 1/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
LMNA P02545 1/20 0.47
AKR1C3 P42330 1/20 0.47

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
Benzoic Acid SCHEMBL29974267 0.93 TSHR (0.86) TSHRCA1CA2CA9FOLH1
SCHEMBL23003 0.88 TSHR (0.79) TSHRCA1CA2CA9FOLH1
SCHEMBL6030710 0.88 TSHR (0.78) TSHRCA1CA2CA9FOLH1
Ammonia Solution, Strong SCHEMBL27527756 0.86 TSHR (0.76) TSHRCA1CA2CA9FOLH1
SCHEMBL28370887 0.86 TSHR (0.76) TSHRCA1CA2CA9FOLH1
SCHEMBL29580520 0.85 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL7759867 0.85 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL2292722 0.85 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL5567652 0.84 TSHR (0.71) TSHRCA1CA2CA9SRD5A2
SCHEMBL16950095 0.84 TSHR (0.72) TSHRCA1CA2CA9FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58194837-A None JP disclosed
EP-1664798-B1 NON-PEPTIDE AGONISTS AND ANTAGONISTS OF ADRENOMEDULLIN AND GASTRIN RELEASING PEPTIDE US GOV HEALTH & HUMAN SERV (US) 2013-05-22 EP disclosed
US-8420579-B2 polytetrafluoroethylene, molybdenum disulfide or graphite as lubricant; a substrate containing polyamideimide resin and organic onium hydroxide compound modified sodium mica or sodium montmorillonite; n-methyl-2-pyrrolidone and xylene solvent; coating slilding surface, removing solvent KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2013-04-16 US disclosed
US-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2012-09-13 US disclosed
US-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2012-09-13 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-5214125-A Polyamide from 3,5-tricyclo[5.2.1.02.6 ]decane dicarboxylic acid MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0332425-B1 PROCESS FOR REFINING 1,3-DIMETHYL-2-IMIDAZOLIDINONE AND A PROCESS FOR PREPARING AN AROMATIC POLYAMIDE BY USE OF THE REFINED PRODUCT MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed
EP-0476583-A2 Novel polyamide and process for the production thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-25 EP disclosed
US-5075406-A Solution polymerization of polyamides in solvent purified by adsorption on magnesia, alumina, silica or mixed oxides MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-24 US disclosed
US-5011936-A Using composite salt consisting of at least two of silica, magnesia and alumina MITSUI TOATSU CHEMICALS, INC. (JP) 1991-04-30 US disclosed
US-4923951-A DIISOCYANTE, ALKALI OR ALKALINE EARTH METAL CATALYST MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-05-08 US disclosed
US-4910291-A From aromatic diacid MITSUBISHI RAYON COMPANY LTD. (JP) 1990-03-20 US disclosed
EP-0332425-A1 Process for refining 1,3-dimethyl-2-imidazolidinone and a process for preparing an aromatic polyamide by use of the refined product MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-13 EP disclosed
EP-0328342-A2 Process for producing aromatic polyamides MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-16 EP disclosed
JP-S58194837-A PREPARATION OF DIPHENYLMETHANE DERIVATIVE TOA EIYOU KAGAKU KOGYO KK 1983-11-12 JP 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-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE GRPR, GIPR, CCKBR TSHR 189/4885CA1 565/4885CA2 1018/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 TSHR 3263/4885CA1 550/4885CA2 612/4885

“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.