SCHEMBL3188183

SCHEMBL3188183

CCOC(=O)Oc1c2c(cc3c4cc(Br)ccc4n(C(=O)OC(C)(C)C)c13)c1cc(Br)ccc1n2C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3B P49841 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CACNA1B Q00975 1/20 0.37
ELANE P08246 4/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRB2 P47870 1/20 0.35
TSPO P30536 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL3200237 0.83 CDK1 (0.46) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3197264 0.83 CDK1 (0.47) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1920073 0.81 CDK1 (0.47) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3460696 0.80 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3461451 0.79 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL409607 0.79 CDK1 (0.54) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3461221 0.78 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1920584 0.76 CDK1 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2186140 0.75 CCNB2 (0.49) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3194957 0.75 HSD17B2 (0.41) ALDH1A1CACNA1BGABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666897-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2010-02-23 US disclosed
US-7666897-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2010-02-23 US disclosed
US-7666897-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2010-02-23 US disclosed
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents SRI INTERNATIONAL (US) 2009-01-22 US disclosed
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents SRI INTERNATIONAL (US) 2009-01-22 US disclosed
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents SRI INTERNATIONAL (US) 2009-01-22 US disclosed
EP-1530572-B1 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS STANFORD RES INST INT (US) 2008-10-15 EP disclosed
US-7429610-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2008-09-30 US disclosed
US-7429610-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2008-09-30 US disclosed
US-7429610-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2008-09-30 US disclosed
US-7078427-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-07-18 US disclosed
US-20060128785-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-06-15 US disclosed
EP-1623985-A2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventative agents Sri International (US) 2006-02-08 EP disclosed
US-6800655-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-10-05 US disclosed
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents JONG LING (US) 2004-08-12 US disclosed
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-03-04 US 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 (4 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-20060128785-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, CCND3, FOXM1 CCNB2 79/4885CDK1 147/4885CCNB1 26/4885
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents IDO1, CCND3, CCNA1 CCNB2 74/4885CDK1 208/4885CCNB1 26/4885
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 CCNB2 240/4885CDK1 257/4885CCNB1 76/4885
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 CCNB2 240/4885CDK1 257/4885CCNB1 76/4885

“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.