Ethane

Ethane

SCHEMBL4336672

CC.COCC(C)N(C(=O)CCl)c1ccccc1C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ALDH1A1 P00352 7/20 0.46
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL9212083 0.99 THRB (0.57) THRBALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL9211321 0.88 THRB (0.55) THRBALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL6880410 0.85 THRB (0.67) THRBALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL6880404 0.85 THRB (0.67) THRBALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL2673039 0.84 THRB (0.50) THRBALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL9467925 0.83 THRB (0.44) THRBALDH1A1TP53SMN1; SMN2LMNA
Ethane SCHEMBL27487810 0.83 THRB (0.47) THRBALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL10371941 0.82 THRB (0.42) THRBALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL4941441 0.81 THRB (0.50) THRBALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL30760739 0.81 THRB (0.50) THRBALDH1A1TP53SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094093-A2 HERBICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2009-09-02 EP claimed
WO-2008071377-A2 HERBICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2008-06-19 WO claimed
US-4892577-A HERBICIDES MOBAY CORPORATION (US) 1990-01-09 US claimed
US-8614166-B2 Herbicidal composition for tolerant or resistant cotton crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-24 US disclosed
US-20130079226-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT COTTON CROPS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US disclosed
US-8338332-B1 Herbicidal composition for tolerant or resistant cotton crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-25 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-20130079226-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT COTTON CROPS PPOX, PNPO, GSR THRB 2308/4885ALDH1A1 1451/4885TP53 2506/4885

“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.