Cyclohexane

Cyclohexane

SCHEMBL322604

C1CCCCC1.CC(C)O.CCN(CC)CC

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
TDP1 Q9NUW8 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
Isopropyl Alcohol SCHEMBL3893557 0.90 ALDH1A1 (0.46) ALDH1A1LMNATSHRKMT2ACHRM2
Isopropyl Alcohol SCHEMBL18984957 0.87 ALDH1A1 (0.43) ALDH1A1LMNATSHRKMT2ACHRM2
Isopropyl Alcohol SCHEMBL28231979 0.87 ALDH1A1 (0.43) ALDH1A1LMNATSHRKMT2ACHRM2
SCHEMBL8186085 0.83 TSHR (0.44) ALDH1A1LMNATSHRKMT2ACHRM2
Cyclohexane SCHEMBL8471239 0.83 ADH1C (0.32) ALDH1A1KMT2A
Isopropyl Alcohol SCHEMBL3202296 0.81 ALDH1A1 (0.42) ALDH1A1LMNATSHRCHRM2CHRM4
Benzene SCHEMBL6962050 0.81 ALDH1A1 (0.38) ALDH1A1LMNATSHRKMT2ACHRM2
Fluoride SCHEMBL6463523 0.79 ADH1C (0.31) KMT2A
Cyclohexane SCHEMBL11847430 0.79
Hexane SCHEMBL1545339 0.79 PLA2G1B (0.43) ALDH1A1LMNATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E ALDH1A1 557/4885LMNA 2825/4885TSHR 1297/4885

“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.