SCHEMBL456342

SCHEMBL456342

[c]1cc2ccc3cccc4c5cccc6ccc1c(c65)c2c34

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 5/20 0.52
HPGD P15428 4/20 0.52
CYP1A2 P05177 3/20 0.52
THRB P10828 1/20 0.52
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
TSHR P16473 5/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP2A6 P11509 1/20 0.32
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 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
SCHEMBL1815373 0.85 ALDH1A1 (0.32) ALDH1A1HSD17B10HPGDCYP1A2TSHR
SCHEMBL18221936 0.85 ALDH1A1 (0.32) ALDH1A1HSD17B10HPGDCYP1A2TSHR
SCHEMBL14718852 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL18221920 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL28130708 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL24630 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL606940 0.78 ALDH1A1 (0.82) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29375094 0.78 ALDH1A1 (0.82) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29370709 0.78 ALDH1A1 (0.82) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL6537252 0.76 ALDH1A1 (0.41) 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 143 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-20240150269-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2024-05-09 US disclosed
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 US disclosed
US-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2023-04-13 US disclosed
EP-4157811-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS McMaster University (CA) 2023-04-05 EP disclosed
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-09 US disclosed
WO-2021237371-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-02 WO disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
WO-2011133722-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 WO disclosed
WO-2011119748-A1 COMPOSITIONS COMPRISING A PROSAMIDE FOR TREATING HAIR LOSS, HAIR THINNING, HAIR COLOR LOSS ALLERGAN, INC. (US) 2011-09-29 WO disclosed
WO-2011097553-A1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID - 2 AGONISTS ALLERGAN, INC. (US) 2011-08-11 WO disclosed
US-20110111031-A1 Drug Delivery Platforms Comprising Silk Fibroin Hydrogels and Uses Thereof ALLERGAN, INC. 2011-05-12 US disclosed
US-20110052695-A1 DRUG DELIVERY PLATFORMS COMPRISING SILK FIBROIN HYDROGELS AND USES THEREOF ALLERGAN, INC. (US) 2011-03-03 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 (8 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-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR ALDH1A1 52/4885HSD17B10 113/4885HPGD 539/4885
US-20110262482-A1 ANTI-VIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 ALDH1A1 3477/4885HSD17B10 4165/4885HPGD 4564/4885
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-20110052695-A1 DRUG DELIVERY PLATFORMS COMPRISING SILK FIBROIN HYDROGELS AND USES THEREOF ILK, MSN, BPHL ALDH1A1 3862/4885HSD17B10 2545/4885HPGD 871/4885
US-20160016872-A1 RESINS FOR UNDERLAYERS AS3MT, TET2, MMAB ALDH1A1 3315/4885HSD17B10 1568/4885HPGD 2571/4885
US-20110111031-A1 Drug Delivery Platforms Comprising Silk Fibroin Hydrogels and Uses Thereof ILK, MSN, BPHL ALDH1A1 3862/4885HSD17B10 2545/4885HPGD 871/4885

“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.