SCHEMBL31728

SCHEMBL31728

Brc1cc2[nH]c3ccccc3c2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GPR3 P46089 1/20 0.50
HSD17B10 Q99714 1/20 0.50
AHR P35869 2/20 0.48
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PRNP P04156 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44

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
SCHEMBL29387190 1.00 ALDH1A1 (0.50) ALDH1A1GPR3HSD17B10AHRCDK4
SCHEMBL21923868 0.90 ALDH1A1 (0.48) ALDH1A1GPR3HSD17B10AHRCDK4
SCHEMBL27150915 0.85 GABRP (0.51) ALDH1A1GPR3HSD17B10CDK4CCND1
SCHEMBL17841966 0.85 GABRP (0.51) ALDH1A1GPR3HSD17B10AHRCDK4
SCHEMBL18758421 0.85 CCNB2 (0.49) ALDH1A1AHRCDK4CCND1HTT
SCHEMBL27014570 0.83 CDK4 (0.47) ALDH1A1GPR3HSD17B10AHRCDK4
SCHEMBL27146906 0.83 MEN1 (0.42) ALDH1A1HSD17B10CDK4CCND1HTT
SCHEMBL30033706 0.83 MEN1 (0.42) ALDH1A1HSD17B10CDK4CCND1HTT
SCHEMBL19988600 0.81 ACHE (0.57) ALDH1A1HSD17B10CDK4CCND1HTT
SCHEMBL19974114 0.81 ADORA3 (0.62) ALDH1A1HSD17B10CDK4CCND1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326733-B1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2025-07-30 EP disclosed
EP-4326729-B1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2025-06-04 EP disclosed
US-20240237532-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2024-07-11 US disclosed
US-20240224802-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2024-07-04 US disclosed
CN-112521411-B Compound and application thereof 北京鼎材科技有限公司 2024-04-12 CN disclosed
EP-4326729-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES Samsung Display Co., Ltd. (KR) 2024-02-28 EP disclosed
EP-4326733-A2 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES Samsung Display Co., Ltd. (KR) 2024-02-28 EP disclosed
EP-4324831-A1 ARYLAMINE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS Shaanxi Lighte Optoelectronics Material Co., Ltd. (CN) 2024-02-21 EP disclosed
CN-117242081-A Organic molecules for optoelectronic devices 三星显示有限公司 2023-12-15 CN disclosed
CN-117203214-A Organic molecules for optoelectronic devices 三星显示有限公司 2023-12-08 CN disclosed
US-20150060833-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-03-05 US disclosed
US-20140323723-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE USINC THE SAME ROHM & HAAS ELECT MAT (KR) 2014-10-30 US disclosed
US-20140323723-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE USINC THE SAME ROHM & HAAS ELECT MAT (KR) 2014-10-30 US disclosed
WO-2014104585-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2014-07-03 WO disclosed
WO-2014104585-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2014-07-03 WO disclosed
US-20140077179-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-03-20 US disclosed
WO-2013073874-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed
WO-2012067425-A1 NOVEL COMPOUND FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-05-24 WO disclosed
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed
WO-2010114264-A2 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 WO 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 (2 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-20240224802-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, ORC3, NOX3 ALDH1A1 2895/4885GPR3 90/4885HSD17B10 3993/4885
US-20240237532-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, C1S, F12 ALDH1A1 958/4885GPR3 877/4885HSD17B10 1009/4885

“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.