Ethane

Ethane

SCHEMBL984516

CC.CC(C)(OC(=O)O)c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
KCNN4 O15554 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CYP1A2 P05177 2/20 0.42

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
SCHEMBL6552317 0.98 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
Methane SCHEMBL7949344 0.96 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
Acetic Acid SCHEMBL23581538 0.94 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL7099802 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL8647287 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
Ethane SCHEMBL28624063 0.83 ALDH1A1 (0.47) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL1789708 0.83 SMN1; SMN2 (0.48) ALDH1A1ALOX15MAPK1HIF1AMAPT
SCHEMBL11467417 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL42458 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL11244960 0.82 CYP2C19 (0.54) ALDH1A1ALOX15MAPK1CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-8895774-B2 Process for producing isocyanates using diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-25 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-03-03 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
EP-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-6197918-B1 INTERCHANGE REACTION OF DIALKYL CARBONATE AND AROMATIC ALCOHOL; CATALYSIS WITH TITANIUM HALIDE, ALKOXIDE, ARYLOXIDE, OR ACETOXIDE GENERAL ELECTRIC COMPANY 2001-03-06 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 (2 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH ALDH1A1 2204/4885ALOX15 3286/4885MAPK1 4396/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH ALDH1A1 3223/4885ALOX15 3479/4885MAPK1 3364/4885

“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.