SCHEMBL1920762

SCHEMBL1920762

CC(C)(C)OC(=O)n1c2ccccc2c2cc3c4ccccc4n(C(=O)OC(C)(C)C)c3c(O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
POLB P06746 1/20 0.44
NR1H2 P55055 11/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NR1H3 Q13133 3/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
CNR2 P34972 1/20 0.39
BCHE P06276 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL3203112 0.89 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL30022454 0.85 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL13696680 0.85 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL1921563 0.82 GABRG2 (0.42) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL1920049 0.82 GABRG2 (0.42) L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL1920073 0.82 CDK1 (0.47) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL17897786 0.81 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL27985045 0.80 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL23875375 0.79 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL30058413 0.79 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326327-B1 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION STANFORD RES INST INT (US) 2016-03-23 EP disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
EP-2326327-A2 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION SRI International (US) 2011-06-01 EP disclosed
WO-2010033198-A2 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION SRI INTERNATIONAL (US) 2010-03-25 WO disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 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 (2 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-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 CHRM2 1115/4885CHRM4 2441/4885CHRM1 1042/4885
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 CHRM2 1115/4885CHRM4 2441/4885CHRM1 1042/4885

“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.