SCHEMBL866096

SCHEMBL866096

CCCOc1ccc2[nH]c(Cc3cc4cc(OCCC)ccc4[nH]3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
HTR1A P08908 1/20 0.46
HTR1B P28222 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
PAX8 Q06710 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL867534 0.94 LOXL2 (0.50) LOXL2HTR1AHTR1BHRH3MTNR1A
SCHEMBL866434 0.91 HTR1D (0.48) LOXL2HTR1AHTR1BHRH3MTNR1A
SCHEMBL866429 0.87 PDGFRB (0.54) LOXL2HRH3MTNR1AMTNR1BMAOA
SCHEMBL16756015 0.82 AXL (0.62) LOXL2HTR1AHTR1BNPC1RAB9A
SCHEMBL867547 0.80 LOXL2 (0.75) LOXL2HRH3NPC1RAB9AMTNR1A
SCHEMBL22325684 0.76 CA12 (0.59) MEN1KMT2AMAPK1CA12CA1
SCHEMBL9626676 0.76 PDE3B (0.53) NPC1RAB9ARXFP1PDGFRBPDGFRA
SCHEMBL1144832 0.76 KDM4E (0.65) NPC1RAB9ARXFP1PDGFRBPDGFRA
SCHEMBL7952644 0.75 LOXL2 (0.69) LOXL2HRH3NPC1RAB9AMTNR1A
SCHEMBL12327788 0.75 AXL (0.62) HTR1AHTR1BNPC1RAB9ARXFP1

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 57 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 LOXL2 1610/4885HTR1A 37/4885HTR1B 12/4885
US-20020115708-A1 Diindolylmethane and C-substituted diindolylmethane compositions and methods for the treatment of multiple cancers KRAS, VHL, TP53 LOXL2 1179/4885HTR1A 3827/4885HTR1B 3944/4885
US-10441569-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 LOXL2 1610/4885HTR1A 37/4885HTR1B 12/4885
US-20060100264-A1 3,3'-Diindolylmethane immune activating compositions CD69, ICOS, CD14 LOXL2 2721/4885HTR1A 2254/4885HTR1B 3106/4885
US-20210046046-A1 SELF-EMULSIFYING FORMULATIONS OF DIM-RELATED INDOLES IDO1, IDO2, CYP8B1 LOXL2 1229/4885HTR1A 37/4885HTR1B 10/4885
US-11337961-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 LOXL2 1229/4885HTR1A 37/4885HTR1B 10/4885
US-10799479-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 LOXL2 1229/4885HTR1A 37/4885HTR1B 10/4885

“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.