SCHEMBL1665653

SCHEMBL1665653

Brc1ccc(-c2c3ccccc3c(-c3ccc(Br)cc3)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 2/20 0.45
CYP2A6 P11509 1/20 0.44
PTGS2 P35354 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
TNKS O95271 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL29696841 1.00 ALDH1A1 (0.57) ALDH1A1MAPK1TDP1CYP2A6PTGS2
SCHEMBL21577244 0.97 ALDH1A1 (0.62) ALDH1A1MAPK1TDP1CYP2A6PTGS2
SCHEMBL261051 0.95 MAPK1 (0.67) ALDH1A1MAPK1TDP1CYP2A6PTGS2
SCHEMBL30114969 0.95 MAPK1 (0.67) ALDH1A1MAPK1TDP1CYP2A6PTGS2
SCHEMBL295925 0.93 ALDH1A1 (0.71) ALDH1A1MAPK1TDP1PTGS2KDM4E
SCHEMBL4827207 0.93 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1CYP2A6PTGS2
SCHEMBL13777182 0.92 ALDH1A1 (0.55) ALDH1A1MAPK1TDP1CYP2A6PTGS2
SCHEMBL3726098 0.90 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1CYP2A6PTGS2
SCHEMBL12795063 0.89 ALDH1A1 (0.56) ALDH1A1MAPK1PTGS2KDM4ECYP1A2
SCHEMBL18676097 0.89 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1CYP2A6PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TIANJIN NORMAL UNIVERSITY (CN) 2023-06-22 US disclosed
EP-4194442-A1 ORGANIC ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTOR LAYER Novaled GmbH (DE) 2023-06-14 EP disclosed
US-11639339-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-02 US disclosed
US-11639339-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-02 US disclosed
EP-3406599-B1 ORGANIC ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTOR LAYER NOVALED GMBH (DE) 2023-02-22 EP disclosed
US-10991517-B2 Molecular photon upconversion using organic-inorganic hybrid interfaces The Florida State University Research Foundation, Inc. (US) 2021-04-27 US disclosed
WO-2021073456-A1 MACROCYCLIC AND CAGE-LIKE MOLECULES BASED ON BIPHENYLARENE AND DERIVATIVE COMPOUNDS, SYNTHESIS METHOD THEREFOR AND USE THEREOF 天津师范大学 2021-04-22 WO disclosed
CN-108165260-B Organic electroluminescent material and preparation method and application thereof 北京燕化集联光电技术有限公司 2020-10-09 CN disclosed
CN-108129395-B Organic electroluminescent material and preparation method and application thereof 北京燕化集联光电技术有限公司 2020-09-15 CN disclosed
CN-108191766-B Benzimidazole organic electroluminescent material and preparation method and application thereof 北京燕化集联光电技术有限公司 2020-09-15 CN disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
WO-2009077349-A1 PROCESS FOR THE PREPARATION OF SEMICONDUCTING LAYERS BASF SE (DE) 2009-06-25 WO disclosed
US-7244518-B2 Anthracene compounds and organic electroluminescent device employing the same AU OPTRONICS CORP. (TW) 2007-07-17 US disclosed
US-7244518-B2 Anthracene compounds and organic electroluminescent device employing the same AU OPTRONICS CORP. (TW) 2007-07-17 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
WO-2007068618-A1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE CIBA HOLDING INC. (CH) 2007-06-21 WO disclosed
EP-0786926-B1 Light-emitting material for organo-electroluminescence device and organo-electroluminescence devive for which the light-emitting material is adapted TOYO INK MFG CO (JP) 2001-08-22 EP disclosed
US-5811834-A Light-emitting material for organo-electroluminescence device and organo-electroluminescence device for which the light-emitting material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1998-09-22 US disclosed
EP-0786926-A2 Light-emitting material for organo-electroluminescence device and organo-electroluminescence devive for which the light-emitting material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1997-07-30 EP 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 (4 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-11639339-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM ALDH1A1 33/4885MAPK1 425/4885TDP1 1442/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885MAPK1 1300/4885TDP1 2598/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885MAPK1 1300/4885TDP1 2598/4885
US-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TPMT, NUDT1, PNP ALDH1A1 1259/4885MAPK1 4852/4885TDP1 1238/4885

“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.