SCHEMBL456343

SCHEMBL456343

[c]1ccc2ccc3ccc4ccc5cccc6c1c2c3c4c56

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 5/20 0.48
HPGD P15428 4/20 0.48
CYP1A2 P05177 3/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 5/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP2A6 P11509 1/20 0.33
HPRT1 P00492 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2410185 0.89 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL1899900 0.88 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2410430 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL1047443 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4981072 0.83 CYP2A6 (0.37) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2405885 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL15936077 0.78 CYP1A2 (0.39) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2408476 0.77 CYP1A2 (0.38) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2413155 0.77 CYP1A2 (0.38) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL17350306 0.76 CYP1A2 (0.40) ALDH1A1HSD17B10HPGDCYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 US claimed
US-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2023-04-13 US claimed
US-20180186902-A1 CATALYSTS QATAR FOUNDATION (QA) 2018-07-05 US claimed
EP-3334769-A1 CATALYSTS Qatar Foundation (QA) 2018-06-20 EP claimed
US-9880469-B2 Resins for underlayers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-01-30 US claimed
WO-2017025701-A1 CATALYSTS QATAR FOUNDATION (QA) 2017-02-16 WO claimed
US-20160016872-A1 RESINS FOR UNDERLAYERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-01-21 US claimed
US-7442760-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US claimed
US-7282275-B2 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-16 US claimed
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 US claimed
US-20060155106-A1 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2006-07-13 US claimed
EP-1618169-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M Innovative Properties Company (US) 2006-01-25 EP claimed
EP-1573789-A2 ELECTROACTIVE POLYMERS 3M Innovative Properties Company (US) 2005-09-14 EP claimed
WO-2004102615-A2 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-25 WO claimed
WO-2004096948-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO claimed
US-20040214036-A1 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US claimed
US-20040062930-A1 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US claimed
US-20030219625-A1 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2003-11-27 US claimed
US-20240150269-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2024-05-09 US disclosed
US-5296381-A Sensing elements and methods for making and using same MINNESOTA MINING & MANUFACTURING CO. (US) 1994-03-22 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-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR ALDH1A1 52/4885HSD17B10 113/4885HPGD 539/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR ALDH1A1 52/4885HSD17B10 113/4885HPGD 539/4885
US-20240150269-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR ALDH1A1 28/4885HSD17B10 104/4885HPGD 650/4885
US-20160016872-A1 RESINS FOR UNDERLAYERS AS3MT, TET2, MMAB ALDH1A1 3315/4885HSD17B10 1568/4885HPGD 2571/4885

“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.