Hexamethylbenzene

Hexamethylbenzene

SCHEMBL4865260

Cc1c(C)c(C)c(C)c(C)c1C.N[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.[Ru]

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
PKM P14618 2/20 0.46
LARS1 Q9P2J5 1/20 0.44
PKLR P30613 1/20 0.43
HSD11B1 P28845 1/20 0.42
F2 P00734 2/20 0.42
KAT6A Q92794 1/20 0.42
ATM Q13315 1/20 0.42
PRSS1 P07477 1/20 0.42

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 SCHEMBL4865465 1.00 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1
SCHEMBL4863504 0.95 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1
SCHEMBL4853381 0.95 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1
Benzene SCHEMBL4855262 0.95 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1
Benzene SCHEMBL4853957 0.95 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1
SCHEMBL4864283 0.94 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1
SCHEMBL4863514 0.94 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1
SCHEMBL4865237 0.94 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1
SCHEMBL4862193 0.94 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1
SCHEMBL4862878 0.94 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1L3MBTL1MEN1

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.