SCHEMBL864857

SCHEMBL864857

CCCCCC1(CC2(CCCCC)C=c3ccccc3=N2)C=c2ccccc2=N1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.35
MMP9 P14780 6/20 0.35
MMP3 P08254 2/20 0.35
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
MMP8 P22894 3/20 0.31
MMP13 P45452 3/20 0.31
SLC9A1 P19634 1/20 0.30

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
SCHEMBL27866345 0.74 MMP2 (0.35) MMP2MMP9MMP3MMP8MMP13
SCHEMBL27803073 0.74 MMP2 (0.33) MMP2MMP9MMP3
SCHEMBL15578898 0.68 MMP2 (0.40) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL11270919 0.68 MMP2 (0.40) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL14361695 0.68 MMP2 (0.40) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL14361832 0.67 MMP2 (0.39) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL14361626 0.67 MMP2 (0.39) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL14361610 0.67 MMP2 (0.36) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL28544166 0.67 MMP2 (0.39) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL14361783 0.66 MMP2 (0.38) MMP2MMP9MMP3OPRM1OPRD1

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 58 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
EP-2314294-A2 3,3'-diindolylmethane immune activating compositions The Regents of The University of California (US) 2011-04-27 EP claimed
US-20060100264-A1 3,3'-Diindolylmethane immune activating compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-05-11 US claimed
EP-1328513-A2 DIINDOLYLMETHANE AND C-SUBSTITUTED DIINDOLYLMETHANE COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE CANCERS The Texas A & M University System (US) 2003-07-23 EP 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-20020115708-A1 Diindolylmethane and C-substituted diindolylmethane compositions and methods for the treatment of multiple cancers TEXAS A&M UNIVERSITY SYSTEM, THE 2002-08-22 US claimed
WO-2002028832-A2 DIINDOLYLMETHANE AND C-SUBSTITUTED DIINDOLYLMETHANE COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE CANCERS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2002-04-11 WO 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
US-20220280479-A1 SELF-EMULSIFYING FORMULATIONS OF DIM-RELATED INDOLES BIORESPONSE, L.L.C. 2022-09-08 US disclosed
US-11337961-B2 Self-emulsifying formulations of DIM-related indoles BIORESPONSE, L.L.C. (US) 2022-05-24 US disclosed
US-20210046046-A1 SELF-EMULSIFYING FORMULATIONS OF DIM-RELATED INDOLES BIORESPONSE, L.L.C. 2021-02-18 US disclosed
US-10799479-B2 Self-emulsifying formulations of DIM-related indoles BIORESPONSE, L.L.C. (US) 2020-10-13 US disclosed
US-10441569-B2 Self-emulsifying formulations of DIM-related indoles BIORESPONSE, L.L.C. (US) 2019-10-15 US disclosed
US-20020115708-A1 Diindolylmethane and C-substituted diindolylmethane compositions and methods for the treatment of multiple cancers TEXAS A&M UNIVERSITY SYSTEM, THE 2002-08-22 US disclosed
WO-2002028832-A2 DIINDOLYLMETHANE AND C-SUBSTITUTED DIINDOLYLMETHANE COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE CANCERS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2002-04-11 WO 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 (7 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-20220280479-A1 SELF-EMULSIFYING FORMULATIONS OF DIM-RELATED INDOLES IDO1, IDO2, CYP8B1 MMP2 3893/4885MMP9 2428/4885MMP3 3046/4885
US-20020115708-A1 Diindolylmethane and C-substituted diindolylmethane compositions and methods for the treatment of multiple cancers KRAS, VHL, TP53 MMP2 2654/4885MMP9 1358/4885MMP3 862/4885
US-10441569-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 MMP2 3893/4885MMP9 2428/4885MMP3 3046/4885
US-20060100264-A1 3,3'-Diindolylmethane immune activating compositions CD69, ICOS, CD14 MMP2 3206/4885MMP9 1244/4885MMP3 2190/4885
US-20210046046-A1 SELF-EMULSIFYING FORMULATIONS OF DIM-RELATED INDOLES IDO1, IDO2, CYP8B1 MMP2 4167/4885MMP9 3093/4885MMP3 3498/4885
US-11337961-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 MMP2 4167/4885MMP9 3093/4885MMP3 3498/4885
US-10799479-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 MMP2 4167/4885MMP9 3093/4885MMP3 3498/4885

“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.