SCHEMBL865591

SCHEMBL865591

Brc1ccc2[nH]c(Cc3cc4cc(Br)ccc4[nH]3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
IDO1 P14902 6/20 0.47
CYP2A6 P11509 1/20 0.45
AHR P35869 1/20 0.45
NR4A2 P43354 1/20 0.45
LOXL2 Q9Y4K0 3/20 0.43
NOS1 P29475 1/20 0.42
METAP2 P50579 1/20 0.42
CSNK2A1 P68400 1/20 0.42
F2 P00734 2/20 0.41
FLT3 P36888 1/20 0.41
TDO2 P48775 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
FFAR1 O14842 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL28178529 0.86 F2 (0.58) CYP19A1IDO1F2
SCHEMBL17433389 0.85 CYP19A1 (0.45) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL7257341 0.85 CYP19A1 (0.45) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL16440998 0.84 CYP19A1 (0.47) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL11161860 0.84 CYP19A1 (0.47) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL5100201 0.84 CYP19A1 (0.47) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL19964554 0.84 LOXL2 (0.62) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL31388376 0.84 LOXL2 (0.62) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL19013520 0.84 CYP19A1 (0.47) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL6989926 0.83 LOXL2 (0.49) CYP19A1IDO1LOXL2F2FFAR1

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-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 CYP19A1 106/4885IDO1 1/4885CYP2A6 1245/4885
US-20020115708-A1 Diindolylmethane and C-substituted diindolylmethane compositions and methods for the treatment of multiple cancers KRAS, VHL, TP53 CYP19A1 1097/4885IDO1 340/4885CYP2A6 3799/4885
US-20060100264-A1 3,3'-Diindolylmethane immune activating compositions CD69, ICOS, CD14 CYP19A1 643/4885IDO1 56/4885CYP2A6 2675/4885
US-20210046046-A1 SELF-EMULSIFYING FORMULATIONS OF DIM-RELATED INDOLES IDO1, IDO2, CYP8B1 CYP19A1 131/4885IDO1 1/4885CYP2A6 938/4885
US-11337961-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 CYP19A1 131/4885IDO1 1/4885CYP2A6 938/4885
US-10799479-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 CYP19A1 131/4885IDO1 1/4885CYP2A6 938/4885

“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.