Hexamethylbenzene

Hexamethylbenzene

SCHEMBL447300

CCNC(C)(C)CO.Cc1c(C)c(C)c(C)c(C)c1C.[H-].[H-].[H-].[H-].[Ru+4]

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
POLB P06746 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL420742 0.85
Hydrochloric Acid SCHEMBL13731740 0.83
SCHEMBL14064772 0.67
SCHEMBL409178 0.66
SCHEMBL12927501 0.66 HTT (0.38) HTT
SCHEMBL9638094 0.66 HTT (0.38) HTT
SCHEMBL25091471 0.65
SCHEMBL419872 0.65
SCHEMBL8442221 0.64
Hydrochloric Acid SCHEMBL11109530 0.64 HTT (0.37) HTT

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
US-9879025-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2017-02-02 US disclosed
US-9394313-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-9376447-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2016-06-28 US disclosed
WO-2012037217-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
US-20120065399-A1 Transfer Hydrogenation of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-03-15 US disclosed
US-20120065400-A1 Transfer Hydrogenation of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-03-15 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 (3 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-20120065400-A1 Transfer Hydrogenation of Cyclopamine Analogs HVCN1, KCNQ4, KCNQ5 HTT 352/4885POLB 2806/4885ATM 3612/4885
US-20120065399-A1 Transfer Hydrogenation of Cyclopamine Analogs HVCN1, KCNQ4, KCNQ5 HTT 352/4885POLB 2806/4885ATM 3612/4885
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS HVCN1, KCNQ4, KCNQ5 HTT 352/4885POLB 2806/4885ATM 3612/4885

“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.