Methane

Methane

SCHEMBL16670259

C.CCCC1CCCCC1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
SIGMAR1 Q99720 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
NOS2 P35228 3/20 0.42
HSD11B1 P28845 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11227844 0.97 CYP1A2 (0.70) CYP1A2SIGMAR1CA1CA2CA4
SCHEMBL7738781 0.97 CYP1A2 (0.70) CYP1A2SIGMAR1CA1CA2CA4
SCHEMBL27988307 0.97 CYP1A2 (0.70) CYP1A2SIGMAR1CA1CA2CA4
SCHEMBL7741556 0.97 CYP1A2 (0.70) CYP1A2SIGMAR1CA1CA2CA4
SCHEMBL11726232 0.97 CYP1A2 (0.70) CYP1A2SIGMAR1CA1CA2CA4
SCHEMBL97288 0.97 CYP1A2 (0.70) CYP1A2SIGMAR1CA1CA2CA4
SCHEMBL3633846 0.97 CYP1A2 (0.70) CYP1A2SIGMAR1CA1CA2CA4
SCHEMBL905661 0.97 CYP1A2 (0.70) CYP1A2SIGMAR1CA1CA2CA4
SCHEMBL128915 0.97
Ammonia Solution, Strong SCHEMBL2254142 0.94 CYP1A2 (0.67) CYP1A2SIGMAR1CA1CA2CA4

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
US-9783474-B2 Catalytic biomass conversion methods, catalysts, and methods of making the same PURDUE RESEARCH FOUNDATION (US) 2017-10-10 US disclosed
US-20160289150-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME PURDUE RESEARCH FOUNDATION (US) 2016-10-06 US disclosed
US-20160272665-A1 PRODUCTION OF RENEWABLE FINE CHEMICALS AND LIQUID FUELS PURDUE RESEARCH FOUNDATION (US) 2016-09-22 US disclosed
EP-3060718-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME Purdue Research Foundation (US) 2016-08-31 EP disclosed
WO-2015061804-A1 PRODUCTION OF RENEWABLE FINE CHEMICALS AND LIQUID FUELS PURDUE RESEARCH FOUNDATION (US) 2015-04-30 WO disclosed
WO-2015061802-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME PURDUE RESEARCH FOUNDATION (US) 2015-04-30 WO 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-20160289150-A1 CATALYTIC BIOMASS CONVERSION METHODS, CATALYSTS, AND METHODS OF MAKING THE SAME HAO2, HPD, HAAO CYP1A2 169/4885SIGMAR1 3380/4885CA1 1124/4885

“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.