SCHEMBL134452

SCHEMBL134452

Brc1ccc(CCCCCCc2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
HTR2A P28223 2/20 0.59
HMOX1 P09601 1/20 0.50
CYP2A6 P11509 1/20 0.47
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2C P28335 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
SCHEMBL15583726 1.00 TAAR1 (0.59) TAAR1HTR2AHMOX1CYP2A6ESR1
SCHEMBL7904900 0.97 TAAR1 (0.62) TAAR1HTR2AHMOX1CYP2A6IDO1
SCHEMBL5238701 0.91 TAAR1 (0.62) TAAR1HTR2AHMOX1CYP2A6IDO1
SCHEMBL3745225 0.90 TAAR1 (0.50) TAAR1HTR2AHMOX1ESR1ADRA2A
SCHEMBL8070958 0.90 TAAR1 (0.50) TAAR1HTR2AHMOX1ESR1ADRA2A
SCHEMBL8071279 0.90 TAAR1 (0.50) TAAR1HTR2AHMOX1ESR1ADRA2A
SCHEMBL5795842 0.90 TAAR1 (0.50) TAAR1HTR2AHMOX1ESR1ADRA2A
SCHEMBL8062227 0.90 TAAR1 (0.50) TAAR1HTR2AHMOX1ESR1ADRA2A
SCHEMBL8072828 0.90 TAAR1 (0.50) TAAR1HTR2AHMOX1ESR1ADRA2A
SCHEMBL15353477 0.88 TAAR1 (0.48) TAAR1HTR2AHMOX1ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3559078-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-10-25 EP disclosed
EP-3559078-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-10-25 EP disclosed
US-20230309369-A1 Organic Light-Emitting Device LG CHEM, LTD. (KR) 2023-09-28 US disclosed
US-20230309369-A1 Organic Light-Emitting Device LG CHEM, LTD. (KR) 2023-09-28 US disclosed
CN-112521934-B Hyperbranched electroluminescent polymer, and polymerization monomer, preparation method and application thereof 华南理工大学 2022-07-26 CN disclosed
US-20220085292-A1 Organic Light Emitting Device LG CHEM, LTD. (KR) 2022-03-17 US disclosed
US-11261291-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2022-03-01 US disclosed
US-20200144505-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2020-05-07 US disclosed
US-20190322796-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-24 US disclosed
WO-2018114882-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-28 WO disclosed
US-20130228767-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK 2013-09-05 US disclosed
US-20130181174-A1 METAL-LIGAND COORDINATION COMPOUNDS MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20130181174-A1 METAL-LIGAND COORDINATION COMPOUNDS MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20120187391-A1 AROMATIC AMINE DERIVATIVE, ORGANIC DEVICE MATERIAL AND HOLE-INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL EACH COMPRISING THE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-26 US disclosed
US-20120056170-A1 COMPOSITION COMPRISING AT LEAST ONE EMITTER COMPOUND AND AT LEAST ONE POLYMER HAVING CONJUGATION-INTERRUPTING UNITS MERCK PATENT GMBH (DE) 2012-03-08 US disclosed
US-20120056170-A1 COMPOSITION COMPRISING AT LEAST ONE EMITTER COMPOUND AND AT LEAST ONE POLYMER HAVING CONJUGATION-INTERRUPTING UNITS MERCK PATENT GMBH (DE) 2012-03-08 US disclosed
WO-2010136111-A1 COMPOSITION, CONTAINING AT LEAST ONE EMITTER COMPOUND AND AT LEAST ONE POLYMER WITH CONJUGATION-INTERRUPTING UNITS MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed
US-4834905-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed
US-4627933-A ESTERS, ETHERS, NITRICES, HALIDES, OR HYDROCARBONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-12-09 US disclosed
EP-0104327-A2 Use of cyclic derivatives as components of liquid cristals MERCK PATENT GmbH (DE) 1984-04-04 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 (1 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-20120187391-A1 AROMATIC AMINE DERIVATIVE, ORGANIC DEVICE MATERIAL AND HOLE-INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL EACH COMPRISING THE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A1, SLCO4C1, SLCO2A1 TAAR1 73/4885HTR2A 300/4885HMOX1 3469/4885

“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.