SCHEMBL866136

SCHEMBL866136

Clc1ccc2[nH]c(Cc3cc4cc(Cl)ccc4[nH]3)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.72
SIRT1 Q96EB6 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.54
PCSK9 Q8NBP7 1/20 0.53
F7 P08709 2/20 0.50
F3 P13726 2/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
F11 P03951 1/20 0.50
DAO P14920 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP19A1 P11511 1/20 0.50
LTA4H P09960 1/20 0.45
AHR P35869 1/20 0.45
NR4A2 P43354 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
SCHEMBL6826452 0.89 LOXL2 (0.64) LOXL2SIRT1SMN1; SMN2PCSK9F7
SCHEMBL6824873 0.86 LOXL2 (0.60) LOXL2SIRT1SMN1; SMN2PCSK9F7
SCHEMBL1500849 0.85 LOXL2 (0.64) LOXL2SIRT1SMN1; SMN2PCSK9F7
SCHEMBL6824328 0.84 LOXL2 (0.58) LOXL2SIRT1SMN1; SMN2PCSK9MEN1
SCHEMBL11174142 0.84 LOXL2 (0.68) LOXL2SIRT1SMN1; SMN2PCSK9F7
SCHEMBL4740651 0.84 LOXL2 (0.68) LOXL2SIRT1SMN1; SMN2PCSK9F7
SCHEMBL4153224 0.84 LOXL2 (1.00) LOXL2SIRT1SMN1; SMN2PCSK9F7
SCHEMBL2056276 0.84 LOXL2 (0.68) LOXL2SIRT1SMN1; SMN2PCSK9F7
SCHEMBL8802664 0.83 LOXL2 (0.57) LOXL2SIRT1SMN1; SMN2PCSK9F7
SCHEMBL6989299 0.83 LOXL2 (0.57) LOXL2SIRT1SMN1; SMN2PCSK9F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606887-B1 DIINDOLYLMETHANE, PRECURSOR AND DERIVATIVES THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING LIVER DISEASES NANJING UNIVERSITY (CN) 2018-08-08 EP 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
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-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 (6 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 1610/4885SIRT1 1544/4885SMN1; SMN2 4680/4885
US-20020115708-A1 Diindolylmethane and C-substituted diindolylmethane compositions and methods for the treatment of multiple cancers KRAS, VHL, TP53 LOXL2 1179/4885SIRT1 4048/4885SMN1; SMN2 1215/4885
US-20060100264-A1 3,3'-Diindolylmethane immune activating compositions CD69, ICOS, CD14 LOXL2 2721/4885SIRT1 1949/4885SMN1; SMN2 3315/4885
US-20210046046-A1 SELF-EMULSIFYING FORMULATIONS OF DIM-RELATED INDOLES IDO1, IDO2, CYP8B1 LOXL2 1229/4885SIRT1 1339/4885SMN1; SMN2 4743/4885
US-11337961-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 LOXL2 1229/4885SIRT1 1339/4885SMN1; SMN2 4743/4885
US-10799479-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 LOXL2 1229/4885SIRT1 1339/4885SMN1; SMN2 4743/4885

“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.