SCHEMBL1415320

SCHEMBL1415320

CC(Br)c1ccc(C(C)Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
PDCD1 Q15116 1/20 0.38
ESR2 Q92731 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ADRB2 P07550 1/20 0.35
LMNA P02545 2/20 0.33
TYR P14679 2/20 0.33
PTGS1 P23219 2/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL5695686 0.90 TYR (0.46) ADRB2LMNATYRPTGS1CYP2D6
SCHEMBL9510147 0.90 PTGS2 (0.39) ESR1PDCD1ESR2CD274CYP3A4
SCHEMBL4434585 0.87 ACHE (0.47) LMNATDP1
SCHEMBL810756 0.87 CYP2A6 (0.47) CYP1A2ALOX15SLC6A2SLC6A3
SCHEMBL31489555 0.87 ACHE (0.47) LMNATDP1
SCHEMBL677922 0.85 ESR1 (0.62) ESR1PDCD1ESR2CD274ADRB2
SCHEMBL624797 0.85 ADRB2 (0.56) ADRB2LMNASLC6A2SLC6A3TDP1
SCHEMBL506690 0.85 IDO1 (0.42) SLC6A2SLC6A3HTTTRPA1
SCHEMBL675629 0.85 MEN1 (0.44) ADRB2CYP3A4MAPTALOX15TDP1
SCHEMBL2389301 0.85 GSK3B (0.39) ESR1PDCD1ESR2CD274CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110343197-A A kind of preparation method and its antibacterial application of polymeric quaternary ammonium salt photochemical catalyst 浙江大学 2019-10-18 CN claimed
US-20080221239-A1 Flame retardant composition for use in styrenics RECREATIONAL WATER PRODUCTS, INC. 2008-09-11 US claimed
US-4675355-A REACTIVE AMINE-CONTAINING NITROSO COMPOUND AND AN HALOGENATED ALKYLBENZENE TO IMPROVE GREEN STRENGTH; TIRES BRIDGESTONE CORPORATION (JP) 1987-06-23 US claimed
US-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2024-04-11 US disclosed
EP-4286374-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-12-06 EP disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
WO-2022164249-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF 주식회사 티씨노바이오사이언스 2022-08-04 WO disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-109759028-B Post-crosslinked polymeric adsorbent and preparation method thereof 万华化学集团股份有限公司 2022-03-11 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
EP-0816385-B1 Process for preparing vinyl polymer KANEKA CORP (JP) 2002-01-30 EP disclosed
US-6291612-B1 POLYMERIZING VINYL MONOMER SUCH AS ACRYLATES AND METHACRYLATES USING AN ORGANIC HALIDE POLYMERIZATION INITIATOR IN THE PRESENCE OF A CUPROUS COMPOUND CATALYST IN A SOLVENT KANEKO CORPORATION (JP) 2001-09-18 US disclosed
WO-2000071501-A1 POLYALCOXYAMINES OBTAINED FROM β-SUBSTITUTED NITROXIDES ATOFINA (FR) 2000-11-30 WO disclosed
US-5770763-A POLYARYLCYCLOBUTENES DERIVED FROM 3,6 FUNCTIONALIZED MONO AND DICYCLOBUTABENZENE THE BOARD OF REGENTS OF THE UNIV. OF MICHIGAN (US) 1998-06-23 US disclosed
EP-0816385-A1 Process for preparing vinyl polymer Kaneka Corporation (JP) 1998-01-07 EP disclosed
US-5552508-A Difunctional bitricyclodecatriene monomers UNIVERSITY OF MICHIGAN, THE BOARD OF REGENTS (US) 1996-09-03 US disclosed
US-4675355-A REACTIVE AMINE-CONTAINING NITROSO COMPOUND AND AN HALOGENATED ALKYLBENZENE TO IMPROVE GREEN STRENGTH; TIRES BRIDGESTONE CORPORATION (JP) 1987-06-23 US disclosed
US-4500740-A Hydrolysis of water-insoluble organic halides UOP INC. (US) 1985-02-19 US disclosed
US-3939084-A Functional fluid compositions containing substituted pyrimidines MONSANTO COMPANY (US) 1976-02-17 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 (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-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF ENPP1, ENPP3, TPP1 ESR1 4212/4885PDCD1 2031/4885ESR2 3383/4885

“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.