SCHEMBL712886

SCHEMBL712886

[c]1ccc(-c2occ3ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 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
SCHEMBL4585151 0.84 ALOX5 (0.39) ENPP3ENPP1ALDH1A1CYP2A6TSHR
SCHEMBL5537117 0.80 ALOX5 (0.32) ALOX5PTGS1
SCHEMBL9427742 0.77 MITF (0.44) ENPP3ENPP1ALDH1A1HSD17B10TDP1
SCHEMBL28134544 0.77 SMN1; SMN2 (0.44) ALDH1A1HSD17B10TDP1
SCHEMBL27678582 0.77 ALDH1A1 (0.41) ENPP3ENPP1ALDH1A1CYP2A6
SCHEMBL23029708 0.77 ENPP3 (0.43) ENPP3ENPP1ALDH1A1TSHRHSD17B10
SCHEMBL27883549 0.77 ALOX5 (0.36) ENPP3ENPP1ALDH1A1CYP2A6TSHR
SCHEMBL10902564 0.77 MAPT (0.41) ALDH1A1HSD17B10
SCHEMBL22684751 0.77 CA1 (0.41) TSHR
Furan SCHEMBL28154172 0.76 KDM4E (0.36) ENPP3ENPP1ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP claimed
US-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US claimed
US-20040077867-A1 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US claimed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US claimed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 US claimed
EP-0971878-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2000-01-19 EP claimed
WO-1998038156-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-03 WO claimed
US-5776954-A GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-07-07 US claimed
CN-114479330-B Cellulose-based chiral optical composite film with strong circular dichroism luminescence performance and construction method 哈尔滨工程大学 2023-04-07 CN disclosed
CN-114479330-A Cellulose-based chiral optical composite film with strong circular dichroism luminescence property and construction method thereof 哈尔滨工程大学 2022-05-13 CN disclosed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
WO-1998038156-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-03 WO disclosed
EP-0859771-A1 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-08-26 EP disclosed
US-5776954-A GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-07-07 US disclosed
WO-1997016442-A1 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-05-09 WO disclosed
US-5332568-A Benzofuranylphenyl substituted, cosmetics 3V INC. (US) 1994-07-26 US disclosed
EP-0570845-A1 S-Triazine derivatives having light-protecting action 3V SIGMA S.p.A (IT) 1993-11-24 EP 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP ENPP3 4412/4885ENPP1 3625/4885ALDH1A1 4024/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 ENPP3 3672/4885ENPP1 1770/4885ALDH1A1 1955/4885

“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.