SCHEMBL17439394

SCHEMBL17439394

[CH]1C=Cc2cccc3cc4ccccc4c1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
CES1 P23141 1/20 0.38
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 5/20 0.35
HPGD P15428 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HIF1A Q16665 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HTR2A P28223 1/20 0.33
CYP1B1 Q16678 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL29562021 0.83 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL26028 0.83 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
Triphenylene SCHEMBL22493025 0.81 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17439395 0.76 ALDH1A1 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18639796 0.74 ALDH1A1 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4853363 0.73 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4853248 0.71 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4850326 0.71 ALDH1A1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852228 0.71 ALDH1A1 (0.49) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4845200 0.70 ALDH1A1 (0.45) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074641-A1 METHOD FOR PREPARING AMIDES FROM ESTERS BASF SE (DE) 2024-04-11 WO disclosed
EP-4341239-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS VIA SUZUKI COUPLING OF ARYL-CHLORIDES BASF SE (DE) 2024-03-27 EP disclosed
EP-4090655-B1 PROCESS FOR PREPARING CYCLIC CARBONATES WITH AN EXOCYCLIC VINYLIDENE GROUP BASF SE (DE) 2024-03-13 EP disclosed
US-20230094796-A1 PROCESS FOR PREPARING CYCLIC CARBONATES WITH AN EXOCYCLIC VINYLIDENE GROUP BASF SE (DE) 2023-03-30 US disclosed
EP-4090655-A1 PROCESS FOR PREPARING CYCLIC CARBONATES WITH AN EXOCYCLIC VINYLIDENE GROUP BASF SE (DE) 2022-11-23 EP disclosed
CN-114981255-A Method for preparing cyclic carbonate with exocyclic vinylidene 巴斯夫欧洲公司 2022-08-30 CN disclosed
CN-109071446-B Organic reaction in aqueous solution in the presence of hydroxyalkyl (alkyl) cellulose or alkylcellulose 艾伯维德国有限责任两合公司 2022-06-21 CN disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
EP-3500551-B1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2021-11-10 EP disclosed
WO-2021144162-A1 PROCESS FOR PREPARING CYCLIC CARBONATES WITH AN EXOCYCLIC VINYLIDENE GROUP BASF SE (DE) 2021-07-22 WO disclosed
EP-3408258-B1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE DEUTSCHLAND (DE) 2020-07-01 EP disclosed
US-10683256-B2 Process for preparing substituted biphenyls BASF SE (DE) 2020-06-16 US disclosed
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2020-05-14 US disclosed
US-20200086616-A1 MULTI-LAYERED FILM , METHOD FOR THE PRODUCTION AND USE THEREOF BASF SE (DE) 2020-03-19 US disclosed
US-20190210954-A1 Process for Preparing Substituted Biphenyls LIANHE CHEMICAL TECHNOLOGY CO., LTD (CN) 2019-07-11 US disclosed
EP-3408258-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE Abbvie Deutschland GmbH & Co. KG (DE) 2018-12-05 EP disclosed
US-9880469-B2 Resins for underlayers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-01-30 US disclosed
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2017-08-03 US disclosed
WO-2017129796-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2017-08-03 WO disclosed
US-20160016872-A1 RESINS FOR UNDERLAYERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-01-21 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 (7 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-10683256-B2 Process for preparing substituted biphenyls PIK3CA, PIK3CB, PIK3CG CYP1A2 540/4885ERBB2 266/4885FYN 659/4885
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL CYP1A2 714/4885ERBB2 4668/4885FYN 1717/4885
US-20190210954-A1 Process for Preparing Substituted Biphenyls PIK3CA, PIK3CB, PIK3CG CYP1A2 540/4885ERBB2 266/4885FYN 659/4885
US-20230094796-A1 PROCESS FOR PREPARING CYCLIC CARBONATES WITH AN EXOCYCLIC VINYLIDENE GROUP CCNC, ADH1C, PLCG2 CYP1A2 1090/4885ERBB2 1419/4885FYN 2740/4885
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL CYP1A2 714/4885ERBB2 4668/4885FYN 1717/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL CYP1A2 714/4885ERBB2 4668/4885FYN 1717/4885
US-20160016872-A1 RESINS FOR UNDERLAYERS AS3MT, TET2, MMAB CYP1A2 924/4885ERBB2 2147/4885FYN 835/4885

“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.