SCHEMBL3208387

SCHEMBL3208387

CC(C)(C)OC(=O)n1c2ccc(Br)cc2c2cc3c4cc(Br)ccc4n(C(=O)OC(C)(C)C)c3c(C(F)(F)C(F)(F)C(F)(F)F)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNB1 P14635 1/20 0.46
GSK3B P49841 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
KRAS P01116 4/20 0.36
USP30 Q70CQ3 2/20 0.36
IDO1 P14902 2/20 0.34
NR1H2 P55055 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL1920073 0.83 CDK1 (0.47) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL3197264 0.83 CDK1 (0.47) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL409607 0.81 CDK1 (0.54) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL3200237 0.81 CDK1 (0.46) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL3196664 0.81 ALDH1A1 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3460696 0.76 CCNB2 (0.42) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL802084 0.75 CDK1 (0.54) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL2186140 0.75 CCNB2 (0.49) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL29357718 0.75 CDK1 (0.54) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL2186936 0.75 CCNB2 (0.47) CDK1CCNB2CCNB1GSK3BCCNB3

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 13 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-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-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 CDK1 147/4885CCNB2 79/4885CCNB1 26/4885
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents IDO1, CCND3, CCNA1 CDK1 208/4885CCNB2 74/4885CCNB1 26/4885
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 CDK1 257/4885CCNB2 240/4885CCNB1 76/4885
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 CDK1 257/4885CCNB2 240/4885CCNB1 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.