SCHEMBL9038874

SCHEMBL9038874

Cc1ccc2c(c1)OC=CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 5/20 0.35
ACHE P22303 3/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
TRPA1 O75762 1/20 0.35
MMP12 P39900 1/20 0.34
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6101052 0.84 CYP1A2 (0.39) CYP2A6CYP1A2ALDH1A1GAAMAPT
SCHEMBL29529322 0.77 ALDH1A1 (0.37) CYP1A2ALDH1A1GAAMAPTHSD17B10
SCHEMBL1092033 0.77 ALDH1A1 (0.37) CYP1A2ALDH1A1GAAMAPTHSD17B10
SCHEMBL1611847 0.72 AHR (0.48) CYP2A6CYP1A2ALDH1A1GAAMAPT
SCHEMBL1609847 0.72 AHR (0.48) CYP2A6CYP1A2ALDH1A1GAAMAPT
SCHEMBL15845332 0.72
SCHEMBL24690433 0.72 CYP1A2 (0.33) CYP2A6CYP1A2ALDH1A1GAAMAPT
SCHEMBL17288670 0.70 ACHE (0.33) CYP2A6CYP1A2ALDH1A1GAAMAPT
SCHEMBL12482146 0.70 ALDH1A1 (0.39) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL6917418 0.69 CYP1A2 (0.31) CYP2A6CYP1A2ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191484-B1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2024-06-12 EP disclosed
EP-4159736-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2023-04-05 EP disclosed
EP-3473621-A1 METHOD FOR PRODUCING DIPHENYLMETHANE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2019-04-24 EP disclosed
US-10138242-B2 Pyrazolopyridine derivatives and their use in therapy HELMHOLTZ ZENTRUM MUENCHEN—DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT GMBH (DE) 2018-11-27 US disclosed
US-20180186789-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2018-07-05 US disclosed
WO-2017217792-A1 METHOD FOR PRODUCING DIPHENYLMETHANE DERIVATIVE 주식회사 대웅제약 2017-12-21 WO disclosed
US-20160222047-A1 C-ARYL GLUCOSIDE DERIVATIVE, PREPARATION METHODS THEREOF, AND MEDICAL APPLICATIONS THEREOF JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2016-08-04 US disclosed
US-9371303-B2 Diphenylmethane derivatives as SGLT2 inhibitors GREEN CROSS CORPORATION (KR) 2016-06-21 US disclosed
EP-2993174-A1 Pyrazolopyridine derivatives and their use in therapy Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt GmbH (DE) 2016-03-09 EP disclosed
US-20150152075-A1 NOVEL DIPHENYLMETHANE DERIVATIVES AS SGLT2 INHIBITORS GREEN CROSS CORPORATION (KR) 2015-06-04 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
WO-2010077589-A2 STAT3 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 WO disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
US-20080139768-A1 Copolymer Having Cyclic Ether Structure in Main Chain, Optical Member Comprising the Copolymer, and Method of Producing the Same FUJIFILM CORPORATION (JP) 2008-06-12 US disclosed
US-20080139768-A1 Copolymer Having Cyclic Ether Structure in Main Chain, Optical Member Comprising the Copolymer, and Method of Producing the Same FUJIFILM CORPORATION (JP) 2008-06-12 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 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 (6 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 CYP2A6 2749/4885CYP1A2 1260/4885ALDH1A1 2925/4885
US-20160222047-A1 C-ARYL GLUCOSIDE DERIVATIVE, PREPARATION METHODS THEREOF, AND MEDICAL APPLICATIONS THEREOF SLC5A1, SLC5A2, UGGT1 CYP2A6 634/4885CYP1A2 397/4885ALDH1A1 965/4885
US-20150152075-A1 NOVEL DIPHENYLMETHANE DERIVATIVES AS SGLT2 INHIBITORS SLC5A2, SLC5A1, SLC2A8 CYP2A6 531/4885CYP1A2 811/4885ALDH1A1 1076/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A CYP2A6 1059/4885CYP1A2 1924/4885ALDH1A1 2290/4885
US-20180186789-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY TPP1, PRDX5, TPMT CYP2A6 2253/4885CYP1A2 390/4885ALDH1A1 1527/4885
US-10138242-B2 Pyrazolopyridine derivatives and their use in therapy TPP1, PRDX5, TPMT CYP2A6 2253/4885CYP1A2 390/4885ALDH1A1 1527/4885

“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.