Butane

Butane

SCHEMBL1778649

C=CCCl.CCCC.CN

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.38
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
Methylamine SCHEMBL4563891 0.89
SCHEMBL124298 0.83
Propane SCHEMBL9577612 0.82
SCHEMBL10879209 0.80 TSHR (0.42) TSHRALDH1A1TDP1
Hydrazine SCHEMBL9491016 0.78
Ethane SCHEMBL11210794 0.78
SCHEMBL1331912 0.78
SCHEMBL253906 0.78
SCHEMBL10938 0.78
SCHEMBL9803971 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734065-B1 PROCESS FOR PRODUCTION OF PURIFIED LIQUID MEDIUM-CHAIN ALKYL MODIFIED POLYDIMETHYLSILOXANES AND COSMETICS DOW CORNING TORAY CO LTD (JP) 2018-09-12 EP disclosed
US-7943720-B2 Method of manufacturing purified products of liquid medium-chain alkyl-modified polydimethysiloxane and cosmetics prepared therefrom DOW CORNING TORAY COMPANY, LTD. (JP) 2011-05-17 US disclosed
US-20070166264-A1 Method of manufacturing purified products of liquid medium-chain alkyl-modified polydimethysiloxane and cosmetics prepared therefrom DOW CORNING TORAY COMPANY, LTD. (JP) 2007-07-19 US disclosed
EP-1734065-A1 PROCESS FOR PRODUCTION OF PURIFIED LIQUID MEDIUM-CHAIN ALKYL MODIFIED POLYDIMETHYLSILOXANES AND COSMETICS Dow Corning Toray Silicone Company, Ltd. (JP) 2006-12-20 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-20070166264-A1 Method of manufacturing purified products of liquid medium-chain alkyl-modified polydimethysiloxane and cosmetics prepared therefrom ORMDL3, OR10J3, POLM TSHR 3131/4885ALDH1A1 514/4885TDP1 4286/4885

“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.