Ethane

Ethane

SCHEMBL6251968

C1OC1CSOSCC1CO1.CC

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CHRM2 P08172 8/20 0.32
CHRM5 P08912 6/20 0.32
CHRM1 P11229 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM3 P20309 4/20 0.31
CHRM4 P08173 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2855180 0.95 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1TDP1CHRM2
Methane SCHEMBL6250798 0.92 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1TDP1
Cyclohexane SCHEMBL6254769 0.90 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL6252146 0.88
Benzene SCHEMBL8847070 0.87 TDP1 (0.39) ALDH1A1TSHRTDP1CHRM2CHRM5
Propene SCHEMBL6264779 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6252497 0.85
SCHEMBL10801123 0.85 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
Octane SCHEMBL11676459 0.84 ALDH1A1 (0.54) ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL7178725 0.81 SMN1; SMN2 (0.41) ALDH1A1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306370-B1 Dithiocarbamates containing alkylthio and hydroxy substituents AFTON CHEMICAL INTANGIBLES LLC (US) 2005-09-07 EP claimed
US-6852680-B2 Dithiocarbamates containing alkylthio and hydroxy substituents ETHYL CORPORATION (US) 2005-02-08 US claimed
US-20030139301-A1 Dithiocarbamates containing alkylthio and hydroxy substituents AFTON CHEMICAL INTANGIBLES LLC 2003-07-24 US claimed
EP-1306370-A1 Dithiocarbamates containing alkylthio and hydroxy substituents ETHYL CORPORATION (US) 2003-05-02 EP claimed
EP-1306370-B1 Dithiocarbamates containing alkylthio and hydroxy substituents AFTON CHEMICAL INTANGIBLES LLC (US) 2005-09-07 EP disclosed
US-6852680-B2 Dithiocarbamates containing alkylthio and hydroxy substituents ETHYL CORPORATION (US) 2005-02-08 US disclosed
US-20030139301-A1 Dithiocarbamates containing alkylthio and hydroxy substituents AFTON CHEMICAL INTANGIBLES LLC 2003-07-24 US disclosed
EP-1306370-A1 Dithiocarbamates containing alkylthio and hydroxy substituents ETHYL CORPORATION (US) 2003-05-02 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-20030139301-A1 Dithiocarbamates containing alkylthio and hydroxy substituents HHAT, TST, DGAT1 ALDH1A1 1876/4885TSHR 1534/4885MAPK1 1778/4885

“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.