SCHEMBL4434585

SCHEMBL4434585

Cc1ccc(C(C)Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNA7 P36544 1/20 0.46
ALDH1A1 P00352 2/20 0.43
ALOX5 P09917 1/20 0.39
CA7 P43166 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP19A1 P11511 1/20 0.35
STAT3 P40763 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 3/20 0.33
MAOA P21397 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
MAOB P27338 1/20 0.33
GRIA4 P48058 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
SCHEMBL31489555 1.00 ACHE (0.47) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL20302524 0.97 ACHE (0.44) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL1415320 0.87 ESR1 (0.38) TDP1LMNA
SCHEMBL11860118 0.82 CA1 (0.34) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL18622738 0.79 ALDH1A1 (0.53) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL5695686 0.79 TYR (0.46) ALDH1A1GAALMNAALOX12
SCHEMBL518418 0.79 ACHE (0.50) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL9510147 0.79 PTGS2 (0.39)
SCHEMBL3295160 0.79 ACHE (0.50) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL4348492 0.77 ACHE (0.47) ACHETDP1CHRNA7ALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210239-B Aromatic compound, organic semiconductor layer, and organic thin film transistor 东曹株式会社 2025-04-11 CN disclosed
US-20240217997-A1 NOVEL MEPICIDES AS ANTIMICROBIAL AGENTS GEORGE MASON UNIVERSITY 2024-07-04 US disclosed
US-20240217997-A1 NOVEL MEPICIDES AS ANTIMICROBIAL AGENTS GEORGE MASON UNIVERSITY 2024-07-04 US disclosed
US-20240217997-A1 NOVEL MEPICIDES AS ANTIMICROBIAL AGENTS GEORGE MASON UNIVERSITY 2024-07-04 US disclosed
US-20240174685-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-30 US disclosed
US-11905297-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-20 US disclosed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
US-20230122024-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
CN-115956071-A Imidazoquinoline or benzindazolone compounds and intermediates for their preparation LMITO药业株式会社 2023-04-11 CN disclosed
US-11479560-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-10-25 US disclosed
EP-0868420-B1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2000-03-29 EP disclosed
EP-0780369-B1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents GRUENENTHAL GMBH (DE) 2000-01-19 EP disclosed
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 US disclosed
EP-0885889-A2 Process for the preparation of pyrazole-3-carboxylic acids SANOFI (FR) 1998-12-23 EP disclosed
EP-0868420-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1998-10-07 EP disclosed
US-5801201-A 1-phenyl-2-dimenthylaminomethyl-cyclohexan-1-ol compounds as pharmaceutical active ingredients GRUENENTHAL GMBH (DE) 1998-09-01 US disclosed
EP-0780369-A1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents Grünenthal GmbH (DE) 1997-06-25 EP disclosed
WO-1997021682-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1997-06-19 WO disclosed
US-4633026-A DEHYDROHALOGENATION OF RING-HALOGENATED ALPHA- OR BETA-BROMOETHYL BENZENES WITH STRONG BASE, POLYOXYETHYLENE GLYCOL CATALYST, AMINE POLYMERIZATION INHIBITOR ETHYL CORPORATION (US) 1986-12-30 US disclosed
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 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 (6 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-11479560-B2 OX2R compounds HCRTR2, HCRTR1, OXTR ACHE 3989/4885TDP1 3369/4885CHRNA7 291/4885
US-11905297-B2 OX2R compounds HCRTR2, HCRTR1, OXTR ACHE 3989/4885TDP1 3369/4885CHRNA7 291/4885
US-20240174685-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR ACHE 3989/4885TDP1 3369/4885CHRNA7 291/4885
US-20240217997-A1 NOVEL MEPICIDES AS ANTIMICROBIAL AGENTS SMPD1, MLYCD, SMPD3 ACHE 708/4885TDP1 2183/4885CHRNA7 3483/4885
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ACHE 3157/4885TDP1 75/4885CHRNA7 1582/4885
US-20230122024-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR ACHE 3989/4885TDP1 3369/4885CHRNA7 291/4885

“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.