SCHEMBL5469815

SCHEMBL5469815

CCCn1cc(CO)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.55
CNR2 P34972 11/20 0.54
ICMT O60725 1/20 0.54
CNR1 P21554 6/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR6 P50406 2/20 0.48

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
SCHEMBL5472032 0.90 CDC25A (0.63) CDC25ACNR2ICMTCNR1KDM4E
SCHEMBL5462804 0.88 CDC25A (0.70) CDC25ACNR2ICMTCNR1
SCHEMBL11375790 0.88 IL6ST (0.53) CDC25ACNR2ICMTCNR1KDM4E
SCHEMBL10650270 0.87 CNR2 (0.58) CDC25ACNR2ICMTCNR1KDM4E
SCHEMBL11063691 0.87 CNR2 (0.52) CDC25ACNR2ICMTCNR1KDM4E
SCHEMBL12558504 0.86 CNR2 (0.58) CDC25ACNR2ICMTCNR1KDM4E
SCHEMBL5469549 0.85 CYP19A1 (0.59) CDC25AICMTALDH1A1
SCHEMBL15747715 0.82 CDC25A (0.80) CDC25ACNR2ICMTCNR1KDM4E
SCHEMBL7749067 0.81 HTR2A (0.66) CDC25ACNR2ICMTCNR1HTR6
SCHEMBL13061260 0.80 CDC25A (0.60) CDC25ACNR2ICMTCNR1KDM4E

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 CDC25A 917/4885CNR2 939/4885ICMT 2982/4885

“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.