SCHEMBL4540171

SCHEMBL4540171

Brc1ccccc1-c1cccc2cccc(Br)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
MAPK1 P28482 7/20 0.56
HSD17B10 Q99714 7/20 0.56
TSHR P16473 4/20 0.56
ATM Q13315 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 5/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 2/20 0.50
HIF1A Q16665 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 2/20 0.45
PABPC1 P11940 1/20 0.45
DNMT1 P26358 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL23187820 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10TSHRATM
SCHEMBL26006710 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1HSD17B10TSHRATM
SCHEMBL21886384 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B10TSHRATM
SCHEMBL25009032 0.83 MAPK1 (0.48) ALDH1A1MAPK1HSD17B10TSHRATM
SCHEMBL15457919 0.82 MAPK1 (0.60) ALDH1A1MAPK1HSD17B10TSHRATM
SCHEMBL29961643 0.82 MAPK1 (0.60) ALDH1A1MAPK1HSD17B10TSHRATM
SCHEMBL16267645 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10TSHRATM
SCHEMBL29374267 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1HSD17B10TSHRATM
SCHEMBL1187339 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1HSD17B10TSHRATM
SCHEMBL31295703 0.79 ALDH1A1 (0.67) ALDH1A1MAPK1HSD17B10TSHRL3MBTL1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12232413-B2 Electroactive materials LG CHEM, LTD. (KR) 2025-02-18 US disclosed
US-20230320195-A1 Electroactive Materials LG CHEM, LTD. (KR) 2023-10-05 US disclosed
US-20230320195-A1 Electroactive Materials LG CHEM, LTD. (KR) 2023-10-05 US disclosed
US-11683979-B2 Electroactive materials LG CHEM, LTD. 2023-06-20 US disclosed
US-11683979-B2 Electroactive materials LG CHEM, LTD. 2023-06-20 US disclosed
US-11683979-B2 Electroactive materials LG CHEM, LTD. 2023-06-20 US disclosed
CN-107250087-B Electroactive material 株式会社LG化学 2022-01-18 CN disclosed
US-20180062082-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2018-03-01 US disclosed
US-20180062082-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2018-03-01 US disclosed
US-20180062082-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2018-03-01 US disclosed
WO-2016126423-A2 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2016-08-11 WO disclosed
WO-2016126423-A2 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2016-08-11 WO disclosed
US-20090026930-A1 Aromatic compound, organic light-emitting diode including organic layer including the aromatic compound, and method of manufacturing the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2009-01-29 US disclosed
US-20090026930-A1 Aromatic compound, organic light-emitting diode including organic layer including the aromatic compound, and method of manufacturing the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2009-01-29 US disclosed
US-20090026930-A1 Aromatic compound, organic light-emitting diode including organic layer including the aromatic compound, and method of manufacturing the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2009-01-29 US disclosed
US-20080100208-A1 ORGANIC LIGHT-EMITTING COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-01 US disclosed
US-20080100208-A1 ORGANIC LIGHT-EMITTING COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-01 US disclosed
US-20080100208-A1 ORGANIC LIGHT-EMITTING COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-01 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 (6 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-12232413-B2 Electroactive materials HCN4, ETV6, HCN2 ALDH1A1 1488/4885MAPK1 2472/4885HSD17B10 3674/4885
US-20080100208-A1 ORGANIC LIGHT-EMITTING COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE C1R, CYBA, LAS1L ALDH1A1 311/4885MAPK1 1037/4885HSD17B10 3401/4885
US-20180062082-A1 ELECTROACTIVE MATERIALS NR4A3, NCOA4, NR4A2 ALDH1A1 2589/4885MAPK1 3191/4885HSD17B10 2360/4885
US-20090026930-A1 Aromatic compound, organic light-emitting diode including organic layer including the aromatic compound, and method of manufacturing the organic light-emitting diode CHRM1, CYP1B1, CHRM2 ALDH1A1 201/4885MAPK1 778/4885HSD17B10 2437/4885
US-20230320195-A1 Electroactive Materials NR4A3, NCOA4, NR4A2 ALDH1A1 2589/4885MAPK1 3191/4885HSD17B10 2360/4885
US-11683979-B2 Electroactive materials NR4A3, NCOA4, NR4A2 ALDH1A1 2600/4885MAPK1 3161/4885HSD17B10 2552/4885

“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.