SCHEMBL2473495

SCHEMBL2473495

BrCCCCn1ccnc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.75
HMOX1 P09601 1/20 0.54
NOS1 P29475 2/20 0.51

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
SCHEMBL21839255 0.98 TBXAS1 (0.79) TBXAS1HMOX1NOS1
Bromide SCHEMBL10851882 0.98 TBXAS1 (0.72) TBXAS1HMOX1NOS1
SCHEMBL28281551 0.98 TBXAS1 (0.79) TBXAS1HMOX1NOS1
SCHEMBL28280378 0.98 TBXAS1 (0.79) TBXAS1HMOX1NOS1
Bromide SCHEMBL28914614 0.96 TBXAS1 (0.76) TBXAS1HMOX1NOS1
Bromide SCHEMBL28915325 0.96 TBXAS1 (0.76) TBXAS1HMOX1NOS1
SCHEMBL1052113 0.93
Bromide SCHEMBL6635203 0.91 TBXAS1 (0.68) TBXAS1HMOX1NOS1
SCHEMBL937596 0.89 TBXAS1 (0.95) TBXAS1HMOX1
Acetic Acid SCHEMBL9711505 0.88 TBXAS1 (0.61) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1566111-A Preparation method of cyclic carbonate LANZHOU CHEM PHYS INST (CN) 2005-01-19 CN claimed
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2019-06-20 US disclosed
CN-109336944-A Celastrol imdazole derivatives and preparation method thereof and purposes 中国药科大学 2019-02-15 CN disclosed
CN-109294143-A A kind of cyclodextrin-polymeric ionic liquid functionalization graphene composite material and preparation method and application 辽宁大学 2019-02-01 CN disclosed
CN-108465488-A N- heterocycle carbines ruthenium catalyst containing imidazolium ionic liquid group and its application 天津斯瑞吉高新科技研究院有限公司 2018-08-31 CN disclosed
CN-106925351-B N-heterocyclic carbene ruthenium catalyst containing imidazolium salt ionic liquid group and preparation method thereof 天津斯瑞吉高新科技研究院有限公司 2018-02-23 CN disclosed
US-20170352818-A1 LIGHT EMITTING ELECTROCHEMICAL CELLS AND COMPOUNDS UNIV COURT UNIV ST ANDREWS (GB) 2017-12-07 US disclosed
CN-105110406-B Application of the ion liquid functionalization silica gel in Phenol for Waste Water pollutant is removed 河南师范大学 2017-11-24 CN disclosed
CN-107353252-A A kind of ionic liquid with carboxylic acid and its preparation method and application 辽宁大学 2017-11-17 CN disclosed
CN-1566111-A Preparation method of cyclic carbonate LANZHOU CHEM PHYS INST (CN) 2005-01-19 CN disclosed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 WO disclosed
US-20030187240-A1 2' -modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-10-02 US disclosed
US-6531584-B1 Nuclease resistant oligonucleotide analogs; DNA or RNA modulation; diagnosis, thearpy of viral diseases ISIS PHARMACEUTICALS, INC. 2003-03-11 US disclosed
US-20030004325-A1 Sugar modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-6399754-B1 CONTAINING SULFOPHOSPHATE GROUP ISIS PHARMACEUTICALS, INC. 2002-06-04 US disclosed
US-6005087-A NUCLEASE RESISTANT OLIGONUCLEOTIDES WHICH ARE USEFUL AS THERAPEUTICS, DIAGNOSTICS, AND RESEARCH REAGENTS FOR VARIOUS VIRAL DISEASES ISIS PHARMACEUTICALS, INC. (US) 1999-12-21 US disclosed
US-5872232-A 2'-O-modified oligonucleotides ISIS PHARMACEUTICALS INC. (US) 1999-02-16 US disclosed
US-5859221-A HYBRID DNA, RNA; NUCLEASE RESISTANT ISIS PHARMACEUTICALS, INC. (US) 1999-01-12 US disclosed
US-5089392-A Medical diagnosis THE UNITED STATES OF AMERICA AS REPRESENTED BY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-02-18 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-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 TBXAS1 1013/4885HMOX1 491/4885NOS1 1615/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 TBXAS1 1337/4885HMOX1 547/4885NOS1 1819/4885
US-20170352818-A1 LIGHT EMITTING ELECTROCHEMICAL CELLS AND COMPOUNDS MAP1LC3C, TRPC1, HLCS TBXAS1 2670/4885HMOX1 3223/4885NOS1 2390/4885

“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.