SCHEMBL458236

SCHEMBL458236

Cc1cc(-c2ccccc2)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 2/20 0.48
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.44
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
ALOX5 P09917 1/20 0.41
BRD4 O60885 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL16200431 1.00 ALDH1A1 (0.48) ALDH1A1MAPK1CRHBPCRHR2CYP3A4
SCHEMBL15678829 0.96 CRHBP (0.47) ALDH1A1MAPK1CRHBPCRHR2CYP3A4
SCHEMBL24608790 0.96 CRHBP (0.47) ALDH1A1MAPK1CRHBPCRHR2CYP3A4
SCHEMBL9953257 0.96 ALDH1A1 (0.44) ALDH1A1MAPK1CRHBPCRHR2CYP3A4
SCHEMBL31453990 0.89 L3MBTL1 (0.52) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4303038 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL15498046 0.85 ALDH1A1 (0.39) ALDH1A1MAPK1CRHBPCRHR2CYP3A4
SCHEMBL12440897 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL18518742 0.82 L3MBTL1 (0.53) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL14394868 0.82 CRHBP (0.50) ALDH1A1MAPK1CRHBPCRHR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620816-B Aromatic amine derivative organic electroluminescent material and device thereof 北京夏禾科技有限公司 2025-01-10 CN disclosed
CN-116410153-A Organic compound, organic photoelectric device, application thereof and display or lighting device 浙江华显光电科技有限公司 2023-07-11 CN disclosed
CN-116283866-A Organic compound, organic photoelectric device, application thereof and display or lighting device 浙江华显光电科技有限公司 2023-06-23 CN disclosed
CN-115572270-A Organic compound, organic photoelectric device, application thereof, and display or lighting device 浙江华显光电科技有限公司 2023-01-06 CN disclosed
US-11535602-B1 Nitrogen-containing compound, electronic element and electronic apparatus SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-12-27 US disclosed
CN-115417845-A Organic compound, organic photoelectric device, application thereof, and display or lighting device 浙江华显光电科技有限公司 2022-12-02 CN disclosed
WO-2021136197-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
US-9947874-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-04-17 US disclosed
US-9947874-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-04-17 US disclosed
US-20160190447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-20140084271-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-03-27 US disclosed
US-20130207046-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130207046-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012087007-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-06-28 WO disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
US-7572927-B2 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2009-08-11 US disclosed
US-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2008-08-14 US disclosed
US-4179578-A Para-phenyl stilbene derivatives SANDOZ LTD. (CH) 1979-12-18 US disclosed
US-4032558-A PARA-PHENYL STILBENE DERIVATIVES SANDOZ LTD. (CH) 1977-06-28 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 (3 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-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound DDT, OXER1, OSTC ALDH1A1 1259/4885MAPK1 2478/4885CRHBP 3545/4885
US-11535602-B1 Nitrogen-containing compound, electronic element and electronic apparatus MNS1, NFE2L2, NXF1 ALDH1A1 2076/4885MAPK1 417/4885CRHBP 3937/4885
US-20160190447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM ALDH1A1 33/4885MAPK1 425/4885CRHBP 4275/4885

“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.