SCHEMBL147312

SCHEMBL147312

COc1ccc(Br)c(OC)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.46
ACHE P22303 2/20 0.44
NQO2 P16083 3/20 0.42
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
ERN1 O75460 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1829968 0.86 NQO2 (0.44) TUBB1ACHENQO2ERN1KDM4E
SCHEMBL9292546 0.83 NQO2 (0.42) TUBB1ACHENQO2TUBB4ATUBB
SCHEMBL13744587 0.83 KDM4E (0.39) TUBB1ACHENQO2KDM4EHTT
SCHEMBL2431072 0.82 TUBB1 (0.42) TUBB1ACHENQO2ERN1KDM4E
SCHEMBL30171329 0.81 CA2 (0.50) TUBB1ACHENQO2TUBB4ATUBB
SCHEMBL772484 0.81 CA2 (0.50) TUBB1ACHENQO2TUBB4ATUBB
SCHEMBL11841492 0.80 TUBB1 (0.47) TUBB1ACHENQO2TUBB4ATUBB
SCHEMBL9669244 0.80 ALDH1A1 (0.47) ACHEKDM4ETSHRALDH1A1MAPT
SCHEMBL29793327 0.80 ACHE (0.52) ACHEKDM4ETSHRALDH1A1CYP3A4
SCHEMBL1635785 0.80 ACHE (0.52) ACHEKDM4ETSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107252429-B Novel anti-inflammatory agent 雷斯韦洛吉克斯公司 2023-06-16 CN disclosed
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2021-11-25 US disclosed
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2020-11-12 US disclosed
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP disclosed
US-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2018-04-19 US disclosed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2017-11-16 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-20070110726-A1 Rust disease control by Aphanocladium album and/or Beauveria brongniartii PHYTOMYCO RESEARCH CORPORATION (US) 2007-05-17 US disclosed
US-20070110726-A1 Rust disease control by Aphanocladium album and/or Beauveria brongniartii PHYTOMYCO RESEARCH CORPORATION (US) 2007-05-17 US disclosed
US-20060235035-A1 Novel methoxybenzamibe compounds for use in mch receptor related disorders 7TM PHARMA A/S (DK) 2006-10-19 US disclosed
US-20050159465-A1 3-(4-Hydroxy-2-methylphenyl)-1,2-benzisoxazol-6-ol; estrogen receptor modulators; ability to compete with 17 beta -estradiol for both Estrogen Receptor alpha and Estrogen Receptor beta; Estrogen Receptor Selective Agonist Antagonist activity; anticancer, antiinflammatory, anticholesterol WYETH (US) 2005-07-21 US disclosed
US-6884814-B2 Phenyl benzisoxazoles as estrogenic agents WYETH (US) 2005-04-26 US disclosed
EP-1497260-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM Pharma A/S (DK) 2005-01-19 EP disclosed
WO-2004048319-A1 NOVEL BENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2004-06-10 WO disclosed
US-20030207927-A1 Phenyl benzisoxazoles as estrogenic agents WYETH 2003-11-06 US disclosed
WO-2003087045-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 WO 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 (10 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-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 TUBB1 2289/4885ACHE 1949/4885NQO2 2145/4885
US-20070110726-A1 Rust disease control by Aphanocladium album and/or Beauveria brongniartii ERG28, HLA-A, GET3 TUBB1 3199/4885ACHE 3939/4885NQO2 1468/4885
US-20030207927-A1 Phenyl benzisoxazoles as estrogenic agents ESR1, ESR2, GPER1 TUBB1 2400/4885ACHE 3038/4885NQO2 1254/4885
US-20050159465-A1 3-(4-Hydroxy-2-methylphenyl)-1,2-benzisoxazol-6-ol; estrogen receptor modulators; ability to compete with 17 beta -estradiol for both Estrogen Receptor alpha and Estrogen Receptor beta; Estrogen Receptor Selective Agonist Antagonist activity; anticancer, antiinflammatory, anticholesterol ESR2, ESR1, GPER1 TUBB1 1417/4885ACHE 2089/4885NQO2 2341/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 TUBB1 2289/4885ACHE 1949/4885NQO2 2145/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 TUBB1 2289/4885ACHE 1949/4885NQO2 2145/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TUBB1 645/4885ACHE 2086/4885NQO2 358/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TUBB1 645/4885ACHE 2086/4885NQO2 358/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TUBB1 645/4885ACHE 2086/4885NQO2 358/4885
US-20060235035-A1 Novel methoxybenzamibe compounds for use in mch receptor related disorders GPR119, MCHR2, HCRTR2 TUBB1 2754/4885ACHE 3661/4885NQO2 3836/4885

“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.