SCHEMBL6463848

SCHEMBL6463848

CCCc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 13/20 0.60
ALOX5 P09917 2/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8134191 0.91 AHR (0.57) AHRCDK1CCNB1ALDH1A1KDM4E
SCHEMBL6463365 0.88 AHR (0.64) AHRCDK1CCNB1ALDH1A1
SCHEMBL9215395 0.82 AHR (0.73) AHR
SCHEMBL7202544 0.78 AHR (0.59) AHRALOX5CDK1CCNB1
SCHEMBL1804174 0.76 AHR (1.00) AHR
SCHEMBL29375526 0.74 AHR (0.68) AHR
SCHEMBL1803931 0.74 AHR (0.68) AHR
SCHEMBL22892534 0.73 AHR (0.51) AHRALOX5ALDH1A1KDM4EHPGD
SCHEMBL6472813 0.72 AHR (0.64) AHR
SCHEMBL8120005 0.72 AHR (0.64) AHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608306-A2 ALKYL-SUBSTITUTED PCDF AS A TREATMENT FOR PROSTATE CANCER THE TEXAS A & M UNIVERSITY SYSTEM (US) 2005-12-28 EP claimed
US-20050143450-A1 Alkyl PCDF as a treatment for prostate cancer TEXAS A&M UNIVERSITY SYSTEM (US) 2005-06-30 US claimed
WO-2005032452-A2 ALKYL-SUBSTITUTED PCDF AS A TREATMENT FOR PROSTATE CANCER TEXAS A & M UNIVERSITY SYSTEM (US) 2005-04-14 WO claimed
EP-1140047-B1 ENDOCRINE THERAPY FOR BREAST CANCER: COMBINED TREATMENT WITH TAMOXIFEN PLUS ALKYL PCDFS TEXAS A & M UNIV SYS (US) 2003-10-29 EP claimed
EP-1140047-A2 ENDOCRINE THERAPY FOR BREAST CANCER: COMBINED TREATMENT WITH TAMOXIFEN PLUS ALKYL PCDFS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2001-10-10 EP claimed
US-6136845-A ANTITUMOR AGENTS; MIXTURE CONTAINING POLYCHLORINATED DIBENZOFURAN THE TEXAS A&M UNIVERSITY SYSTEM (US) 2000-10-24 US claimed
WO-2000037065-A2 ENDOCRINE THERAPY FOR BREAST CANCER: COMBINED TREATMENT WITH TAMOXIFEN PLUS ALKYL PCDFS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2000-06-29 WO claimed
US-5516790-A Synthesis and application of alkyl-substituted dibenzofurans as antitumorigenic agents TEXAS A&M UNIVERSITY SYSTEM TECHNOLOGY LICENSING OFFICE (US) 1996-05-14 US claimed
EP-1608306-A2 ALKYL-SUBSTITUTED PCDF AS A TREATMENT FOR PROSTATE CANCER THE TEXAS A & M UNIVERSITY SYSTEM (US) 2005-12-28 EP disclosed
US-20050143450-A1 Alkyl PCDF as a treatment for prostate cancer TEXAS A&M UNIVERSITY SYSTEM (US) 2005-06-30 US disclosed
WO-2005032452-A2 ALKYL-SUBSTITUTED PCDF AS A TREATMENT FOR PROSTATE CANCER TEXAS A & M UNIVERSITY SYSTEM (US) 2005-04-14 WO disclosed
EP-1140047-B1 ENDOCRINE THERAPY FOR BREAST CANCER: COMBINED TREATMENT WITH TAMOXIFEN PLUS ALKYL PCDFS TEXAS A & M UNIV SYS (US) 2003-10-29 EP disclosed
US-6140063-A USE OF THE ARYL HYDROCARBON (AH) RECEPTOR PROTEIN COMPLEX AS A DRUG TARGET, ALONE OR IN COMBINATION WITH ANOTHER COMPOUND, TO TREAT CYTOPATHIC CELL CHANGES AND VIRAL INFECTIONS GENERALLY PARACELSIAN, INC. (US) 2000-10-31 US disclosed
US-6136845-A ANTITUMOR AGENTS; MIXTURE CONTAINING POLYCHLORINATED DIBENZOFURAN THE TEXAS A&M UNIVERSITY SYSTEM (US) 2000-10-24 US disclosed
US-5516790-A Synthesis and application of alkyl-substituted dibenzofurans as antitumorigenic agents TEXAS A&M UNIVERSITY SYSTEM TECHNOLOGY LICENSING OFFICE (US) 1996-05-14 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-20050143450-A1 Alkyl PCDF as a treatment for prostate cancer KLK3, ACP3, AR AHR 379/4885ALOX5 451/4885CDK1 1797/4885

“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.