SCHEMBL5465870

SCHEMBL5465870

CCCCCOc1ccc2[nH]cc(CO)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 15/20 0.72
HTR1A P08908 14/20 0.72
HTR1D P28221 12/20 0.72
MAPT P10636 2/20 0.70
MAPK1 P28482 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
CYP2D6 P10635 2/20 0.70
KDM4E B2RXH2 1/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
HTR2A P28223 1/20 0.70
CYP2C19 P33261 1/20 0.70
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
HTT P42858 1/20 0.50

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
SCHEMBL5469807 0.97 HTR1B (0.67) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL7600228 0.94 HTR1B (0.67) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL5471454 0.92 HTR1B (0.71) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960974 0.86 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960972 0.86 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960982 0.86 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960987 0.86 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960969 0.86 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960986 0.86 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960983 0.86 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 19 patents. 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
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
EP-2606887-A1 DIINDOLYLMETHANE, PRECURSOR AND DERIVATIVES THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING LIVER DISEASES Nanjing University (CN) 2013-06-26 EP disclosed
US-20070004691-A1 Antitumoral combinations containing et-743 and a cruciferous and a cruciferous indole compound PHARMA MAR, S.A.U. (ES) 2007-01-04 US disclosed
EP-1675592-A1 IMPROVED ANTITUMORAL COMBINATIONS CONTAINING ET-743 AND A CRUCIFEROUS INDOLE COMPOUND Pharma Mar, S.A.U. (ES) 2006-07-05 EP disclosed
WO-2005039584-A1 IMPROVED ANTITUMORAL COMBINATIONS CONTAINING ET-743 AND A CRUCIFEROUS AND A CRUCIFEROUS INDOLE COMPOUND PHARMA MAR, S.A.U. (ES) 2005-05-06 WO disclosed
US-20040058897-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2004-03-25 US 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

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-20070004691-A1 Antitumoral combinations containing et-743 and a cruciferous and a cruciferous indole compound ELF3, TEAD4, CUL3 HTR1B 1733/4885HTR1A 1391/4885HTR1D 1556/4885

“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.