SCHEMBL5469807

SCHEMBL5469807

CCCCOc1ccc2[nH]cc(CO)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 15/20 0.67
HTR1A P08908 14/20 0.67
HTR1D P28221 12/20 0.67
MAPT P10636 2/20 0.66
MAPK1 P28482 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
CYP2D6 P10635 2/20 0.66
KDM4E B2RXH2 1/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
HTR2A P28223 1/20 0.66
CYP2C19 P33261 1/20 0.66
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
HTT P42858 1/20 0.52

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
SCHEMBL7600228 0.97 HTR1B (0.67) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL5465870 0.97 HTR1B (0.72) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL5471454 0.94 HTR1B (0.71) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL23269931 0.88 HTR1B (0.71) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL5461339 0.88 CYP2D6 (0.56) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14961026 0.87 HTR1B (0.78) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL12721122 0.83 KDM4E (0.71) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960974 0.83 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960987 0.83 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960972 0.83 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606887-A1 DIINDOLYLMETHANE, PRECURSOR AND DERIVATIVES THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING LIVER DISEASES Nanjing University (CN) 2013-06-26 EP claimed
CN-102370638-A Application of 3,3'-diindolylmethane and 3,3'-diindolylmethane derivatives in preparation of drugs for treating liver diseases NANJING UNIVERSITY 2012-03-14 CN claimed
US-20040058897-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2004-03-25 US claimed
US-6605605-B2 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2003-08-12 US claimed
EP-0971890-B1 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS TEXAS A & M UNIV SYS (US) 2002-11-27 EP claimed
US-20020058648-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2002-05-16 US claimed
EP-0971890-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2000-01-19 EP claimed
US-5948808-A Indole-3-carbinol, diindolylmethane and substituted analogs as antiestrogens THE TEXAS A&M UNIVERSITY SYSTEM (US) 1999-09-07 US claimed
WO-1998050357-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A & M UNIVERSITY SYSTEM (US) 1998-11-12 WO claimed
CN-108245509-A The application of DIM and its derivative in preparing prevention chemotherapy and causing damage medicine 南京大学 2018-07-06 CN disclosed
CN-105030766-A Indole-3-carbinol, di-indolyl methane and application of derivatives of indole-3-carbinol and di-indolyl methane to medicine for treating allergic pharyngitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-11-11 CN disclosed
CN-105012297-A Use of indole-3-carbinol, bis-indolymethane and derivatives thereof in drugs for treatment on contact dermatitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-11-04 CN disclosed
CN-104997772-A Application of indole-3-methanol, diindolylmethane and derivatives thereof in drugs used for treating psoriasis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-10-28 CN disclosed
CN-104940194-A Application of benzpyrole-3-methyl alcohol, diindolylmethane and ramification thereof used for medicine for treating refractory periodontitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-09-30 CN disclosed
US-6605605-B2 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2003-08-12 US disclosed
EP-0971890-B1 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS TEXAS A & M UNIV SYS (US) 2002-11-27 EP disclosed
US-20020058648-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2002-05-16 US disclosed
EP-0971890-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2000-01-19 EP disclosed
US-5948808-A Indole-3-carbinol, diindolylmethane and substituted analogs as antiestrogens THE TEXAS A&M UNIVERSITY SYSTEM (US) 1999-09-07 US disclosed
WO-1998050357-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A & M UNIVERSITY SYSTEM (US) 1998-11-12 WO disclosed