Hexamethylbenzene

Hexamethylbenzene

SCHEMBL5415733

Cc1c(C)c(C)c(C)c(C)c1C.N[C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F.[Ru]

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
LMNA P02545 1/20 0.30
HDAC4 P56524 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
Hexamethylbenzene SCHEMBL5430986 1.00 HCRTR2 (0.33) HCRTR2MMP2MMP9CA12CA1
SCHEMBL5413840 0.92 HTT (0.33) LMNA
SCHEMBL5424758 0.92 HTT (0.33) LMNA
SCHEMBL5180239 0.90 CA1 (0.37) HCRTR2MMP2MMP9CA12CA1
SCHEMBL810240 0.90 CA1 (0.37) HCRTR2MMP2MMP9CA12CA1
SCHEMBL5180894 0.90 CA1 (0.37) HCRTR2MMP2MMP9CA12CA1
SCHEMBL5180231 0.90 CA1 (0.37) HCRTR2MMP2MMP9CA12CA1
SCHEMBL5180906 0.90 CA1 (0.37) HCRTR2MMP2MMP9CA12CA1
SCHEMBL5424477 0.90 LMNA (0.37) PTGS1PTGS2LMNAHDAC4
SCHEMBL5429405 0.90 LMNA (0.37) PTGS1PTGS2LMNAHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268250-B2 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2007-09-11 US disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 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 (1 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-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX HCRTR2 4802/4885MMP2 3386/4885MMP9 1879/4885

“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.