SCHEMBL864947

SCHEMBL864947

CCCCc1ccc2[nH]c(Cc3cc4cc(CCCC)ccc4[nH]3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HTR1A P08908 2/20 0.42
SKP2 Q13309 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 2/20 0.40
FFAR1 O14842 2/20 0.40
TUBB4A P04350 1/20 0.40
CYP1A2 P05177 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40

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
SCHEMBL865468 0.95 HTR1A (0.43) KDM4EHTR1ALOXL2LMNAMAPT
SCHEMBL866002 0.89 LOXL2 (0.43) KDM4ELOXL2GPR84LMNAMAPT
SCHEMBL1461108 0.88 GHSR (0.47) KDM4EHTR1AGPR84LMNAHIF1A
SCHEMBL864772 0.84 KDM4E (0.46) KDM4EHTR1ALOXL2LMNAMAPT
SCHEMBL27513309 0.81 KDM4E (0.45) KDM4EHTR1ASKP2GPR84LMNA
SCHEMBL16894418 0.78 CYP2A6 (0.47) KDM4EHTR1ASKP2GPR84LMNA
SCHEMBL867534 0.77 LOXL2 (0.50) KDM4EHTR1ALOXL2MAPTCYP1A2
SCHEMBL1313330 0.76 LOXL2 (0.46) HTR1ALOXL2GPR84HTR1DHTR1B
SCHEMBL1537772 0.75 SKP2 (0.55) KDM4ESKP2LMNASMN1; SMN2CYP1A2
SCHEMBL31593167 0.75 SKP2 (0.55) KDM4ESKP2LMNASMN1; SMN2CYP1A2

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 KDM4E 1237/4885HTR1A 37/4885SKP2 635/4885
US-20020115708-A1 Diindolylmethane and C-substituted diindolylmethane compositions and methods for the treatment of multiple cancers KRAS, VHL, TP53 KDM4E 530/4885HTR1A 3827/4885SKP2 1150/4885
US-10441569-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 KDM4E 1237/4885HTR1A 37/4885SKP2 635/4885
US-20060100264-A1 3,3'-Diindolylmethane immune activating compositions CD69, ICOS, CD14 KDM4E 3050/4885HTR1A 2254/4885SKP2 3541/4885
US-20210046046-A1 SELF-EMULSIFYING FORMULATIONS OF DIM-RELATED INDOLES IDO1, IDO2, CYP8B1 KDM4E 1307/4885HTR1A 37/4885SKP2 507/4885
US-11337961-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 KDM4E 1307/4885HTR1A 37/4885SKP2 507/4885
US-10799479-B2 Self-emulsifying formulations of DIM-related indoles IDO1, IDO2, CYP8B1 KDM4E 1307/4885HTR1A 37/4885SKP2 507/4885

“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.