Hexamethylbenzene

Hexamethylbenzene

SCHEMBL4853475

Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)c1.[Ru]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.47
SLC1A2 P43004 4/20 0.47
SLC1A1 P43005 4/20 0.47
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 1/20 0.37
GBA1 P04062 2/20 0.36
ACLY P53396 1/20 0.36
NAT1 P18440 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EEF2K O00418 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
Hexamethylbenzene SCHEMBL4855090 1.00 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1
SCHEMBL4862904 0.97 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1
Benzene SCHEMBL4862827 0.97 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1
Benzene SCHEMBL4859490 0.97 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1
SCHEMBL4864326 0.97 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1
SCHEMBL27602989 0.96 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1
SCHEMBL6250944 0.96 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1
SCHEMBL809957 0.96 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1
SCHEMBL4859311 0.95 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1
SCHEMBL4860479 0.95 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 2005-05-12 US disclosed
EP-1512678-A1 Process for preparing optically active nitro compounds and cyano compounds Kanto Kagaku Kabushiki Kaisha (JP) 2005-03-09 EP 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-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds NOS1, NOS2, NOX1 SLC1A3 1768/4885SLC1A2 1595/4885SLC1A1 1447/4885

“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.