SCHEMBL1685392

SCHEMBL1685392

CC(C)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
AOC3 Q16853 2/20 0.48
BRD4 O60885 1/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
KDM4E B2RXH2 6/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 2/20 0.44
CASP3 P42574 2/20 0.44
KMT2A Q03164 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL20078274 0.88 BRD4 (0.46) AHRAOC3BRD4RAB9ANPC1
SCHEMBL399327 0.87 AHR (0.50) AHRAOC3BRD4RAB9ANPC1
SCHEMBL30435112 0.87 AHR (0.50) AHRAOC3BRD4RAB9ANPC1
SCHEMBL5692312 0.83 AHR (0.56) AHRAOC3BRD4RAB9ANPC1
SCHEMBL26462532 0.83 AHR (0.47) AHRAOC3BRD4RAB9ANPC1
SCHEMBL20078280 0.82 BRD4 (0.41) AHRAOC3BRD4RAB9ANPC1
SCHEMBL28864005 0.82 AHR (0.53) AHRAOC3BRD4RAB9ANPC1
SCHEMBL7379568 0.80 AHR (0.45) AHRAOC3BRD4RAB9ANPC1
SCHEMBL12045263 0.80 KDM4E (0.46) AHRAOC3BRD4RAB9ANPC1
SCHEMBL7022968 0.80 AHR (0.51) AHRAOC3BRD4RAB9ANPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-2314294-A2 3,3'-diindolylmethane immune activating compositions The Regents of The University of California (US) 2011-04-27 EP disclosed
WO-2010042657-A1 USE OF DIINDOLYLMETHANE (DIM) COMPOUNDS AND DERIVATIVES AS NEUROPROTECTIVE AGENTS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-04-15 WO disclosed
EP-1811842-A4 3,3'-DIINDOLYLMETHANE IMMUNE ACTIVATING COMPOSITIONS UNIV CALIFORNIA (US) 2008-02-27 EP disclosed
EP-1811842-A2 3,3'-DIINDOLYLMETHANE IMMUNE ACTIVATING COMPOSITIONS The Regents of the University of California (US) 2007-08-01 EP disclosed
WO-2006110299-A1 3,3'-DIINDOLYLMETHANE COMPOSITIONS INHIBIT ANGIOGENESIS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-10-19 WO disclosed
US-20060229355-A1 3.3'-Diindolylmethane compositions inhibit angiogenesis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-10-12 US disclosed
WO-2006068713-A2 3,3'-DIINDOLYLMETHANE IMMUNE ACTIVATING COMPOSITIONS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-29 WO disclosed
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 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
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-20060229355-A1 3.3'-Diindolylmethane compositions inhibit angiogenesis FLT4, FLT1, PGF AHR 772/4885AOC3 1090/4885BRD4 1854/4885

“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.