Methane

Methane

SCHEMBL506260

C.O=C(CO)c1ccccc1

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPK1 P28482 2/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
CYP3A4 P08684 2/20 0.64
HPGD P15428 2/20 0.64
CES1 P23141 2/20 0.64
ALOX15 P16050 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 5/20 0.58
GSK3B P49841 2/20 0.58
PTPN1 P18031 2/20 0.58
HIF1A Q16665 2/20 0.58
TRPA1 O75762 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
NR4A2 P43354 1/20 0.56
ERCC5 P28715 1/20 0.54

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
SCHEMBL27431671 0.97 TDP1 (0.67) TDP1KMT2AMAPK1MAPTMEN1
Benzene SCHEMBL27878545 0.97 TDP1 (0.67) TDP1KMT2AMAPK1MAPTMEN1
SCHEMBL44898 0.97 TDP1 (0.67) TDP1KMT2AMAPK1MAPTMEN1
SCHEMBL11868666 0.97 TDP1 (0.67) TDP1KMT2AMAPK1MAPTMEN1
Phosphine SCHEMBL28828321 0.95 TDP1 (0.64) TDP1KMT2AMAPK1MAPTMEN1
Hydrochloric Acid SCHEMBL27573096 0.95 TDP1 (0.64) TDP1KMT2AMAPK1MAPTMEN1
SCHEMBL11410208 0.95 TDP1 (0.64) TDP1KMT2AMAPK1MAPTMEN1
SCHEMBL3639678 0.95 TDP1 (0.64) TDP1KMT2AMAPK1MAPTMEN1
Hydrogen Sulfide SCHEMBL843971 0.95 TDP1 (0.64) TDP1KMT2AMAPK1MAPTMEN1
SCHEMBL10595732 0.95 TDP1 (0.64) TDP1KMT2AMAPK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US claimed
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP claimed
CN-101857887-A Method for preparing optically pure aryl alcohol with cell-free extracts of recombinant strains by catalytic asymmetric conversion UNIV JIANGNAN 2010-10-13 CN claimed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO claimed
CN-102812014-B The purposes of novel 9 oxime derivate and the allosteric modulators as metabotropic glutamate receptor thereof DOMAIN THERAPEUTICS (FR) 2016-01-20 CN disclosed
CN-102812014-A Novel Oxime Derivatives And Their Use As Allosteric Modulators Of Metabotropic Glutamate Receptors DOMAIN THERAPEUTICS 2012-12-05 CN disclosed
CN-101857887-B Method for preparing optically pure aryl alcohol with cell-free extracts of recombinant strains by catalytic asymmetric conversion UNIV JIANGNAN 2012-11-14 CN disclosed
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US disclosed
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP disclosed
CN-101857887-A Method for preparing optically pure aryl alcohol with cell-free extracts of recombinant strains by catalytic asymmetric conversion UNIV JIANGNAN 2010-10-13 CN disclosed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO disclosed
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 US disclosed
US-4704396-A 5-HYDROXYTRYPTAMINE; HYPOTENSIVES ELI LILLY AND COMPANY (US) 1987-11-03 US disclosed
EP-0228876-A2 Esters of dihydrolysergic acid and related compounds ELI LILLY AND COMPANY (US) 1987-07-15 EP disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 US disclosed
EP-0046083-B1 PHOTOLABILE BLOCKED SURFACTANTS AND COMPOSITIONS CONTAINING THE SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-10-16 EP disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 US disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 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-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 TDP1 4606/4885KMT2A 3494/4885MAPK1 1573/4885

“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.