SCHEMBL5456514

SCHEMBL5456514

CCCCCc1[nH]c2ccccc2c1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 6/20 0.54
HPGD P15428 5/20 0.54
HSD17B10 Q99714 4/20 0.54
GAA P10253 1/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
OXER1 Q8TDS5 1/20 0.52
KCNH2 Q12809 1/20 0.51
POLB P06746 1/20 0.50
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
TSHR P16473 3/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL5465366 0.95 CHRNB2 (0.54) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5463620 0.89 CHRNB2 (0.65) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5409935 0.89 CHRNB2 (0.60) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL17154322 0.87 KCNH2 (0.64) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL28674730 0.87 CHRNB2 (0.59) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL31091563 0.87 CHRNB2 (0.59) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL28987798 0.83 CHRNB2 (0.58) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL7089878 0.83 CHRNB2 (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL28786423 0.82 OXER1 (0.60) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL19734470 0.82 CHRNB2 (0.54) ALDH1A1KDM4EHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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
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-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 ALDH1A1 2148/4885KDM4E 1657/4885HPGD 1632/4885

“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.