SCHEMBL1646342

SCHEMBL1646342

Brc1cccc2cc3cccc(Br)c3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42
CYP1A2 P05177 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
BACE1 P56817 2/20 0.40
HPGD P15428 2/20 0.40
AHR P35869 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
NOS1 P29475 2/20 0.37
AXL P30530 1/20 0.37
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29420851 1.00 SLC9A1 (0.42) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1
SCHEMBL29971666 0.92 ALDH1A1 (0.43) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1
SCHEMBL2227885 0.92 ALDH1A1 (0.43) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1
SCHEMBL29388401 0.90 ALDH1A1 (0.45) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1
SCHEMBL2407961 0.90 ALDH1A1 (0.45) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1
SCHEMBL28021465 0.89 ALDH1A1 (0.50) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1
SCHEMBL17849080 0.87 ALDH1A1 (0.44) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1
SCHEMBL31364317 0.87 ALDH1A1 (0.44) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1
SCHEMBL30149559 0.87 ALDH1A1 (0.44) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1
SCHEMBL17849090 0.87 ALDH1A1 (0.44) SLC9A1CYP1A2ALDH1A1HSD17B10BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112645878-A N-containing compound with specific response to pressure stimulation, preparation method and application 北京工业大学 2021-04-13 CN claimed
US-12317739-B2 Condensed cyclic compound, light-emitting device including condensed cyclic compound, and electronic apparatus including light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2025-05-27 US disclosed
CN-116162185-B Metallocene catalyst, preparation method and application thereof in olefin polymerization 万华化学集团股份有限公司 2024-06-25 CN disclosed
CN-116102560-B Triptycene compound, preparation method thereof and light-emitting device 季华实验室 2023-06-23 CN disclosed
CN-116120328-B Triptycene compound, preparation method thereof and light-emitting device 季华实验室 2023-06-20 CN disclosed
CN-116162185-A Metallocene catalyst, preparation method and application thereof in olefin polymerization 万华化学集团股份有限公司 2023-05-26 CN disclosed
CN-116120328-A Triptycene compound, preparation method thereof and light-emitting device 季华实验室 2023-05-16 CN disclosed
CN-116116205-A Method for retarding generation of chloro-and bromo-polycyclic aromatic hydrocarbon by polycyclic aromatic hydrocarbon precursor 国科大杭州高等研究院 2023-05-16 CN disclosed
CN-116102560-A Triptycene compound, preparation method thereof and light-emitting device 季华实验室 2023-05-12 CN disclosed
CN-115716798-A Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2023-02-28 CN disclosed
US-20110114934-A1 NEW ANTHRACENE DERIVATIVE AND AN ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM LTD. (KR) 2011-05-19 US disclosed
US-20110114934-A1 NEW ANTHRACENE DERIVATIVE AND AN ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM LTD. (KR) 2011-05-19 US disclosed
US-20110108826-A1 ANTHRACENE DERIVATIVE AND AN ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM LTD. (KR) 2011-05-12 US disclosed
US-20110108826-A1 ANTHRACENE DERIVATIVE AND AN ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM LTD. (KR) 2011-05-12 US disclosed
WO-2011050003-A2 AIR-STABLE, BLUE LIGHT EMITTING CHEMICAL COMPOUNDS UNIVERSITY OF MISSISSIPPI (US) 2011-04-28 WO disclosed
US-7750175-B2 Organic light-emitting diodes and related hole transport compounds NORTHWESTERN UNIVERSITY (US) 2010-07-06 US disclosed
WO-2010013239-A2 SYNTHESIS OF STABLE C-(sup3)-CARBOMETALATED TRANSITION METAL COMPLEXES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD (IL) 2010-02-04 WO disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
US-20050234256-A1 Organic light-emitting diodes and related hole transport compounds NATIONAL SCIENCE FOUNDATION 2005-10-20 US disclosed
US-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 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 (5 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-20110108826-A1 ANTHRACENE DERIVATIVE AND AN ORGANIC ELECTRONIC DEVICE USING THE SAME XPOT, ATXN10, ATXN2 SLC9A1 722/4885CYP1A2 44/4885ALDH1A1 623/4885
US-20050234256-A1 Organic light-emitting diodes and related hole transport compounds CLTB, SLCO4C1, ILK SLC9A1 526/4885CYP1A2 1868/4885ALDH1A1 1500/4885
US-20110114934-A1 NEW ANTHRACENE DERIVATIVE AND AN ORGANIC ELECTRONIC DEVICE USING THE SAME XPOT, ATXN10, TOMM22 SLC9A1 738/4885CYP1A2 65/4885ALDH1A1 779/4885
US-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation OGG1, HPD, HPGD SLC9A1 716/4885CYP1A2 734/4885ALDH1A1 2725/4885
US-12317739-B2 Condensed cyclic compound, light-emitting device including condensed cyclic compound, and electronic apparatus including light-emitting device CCNE2, CRY1, CCNE1 SLC9A1 2963/4885CYP1A2 281/4885ALDH1A1 488/4885

“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.