Ethane

Ethane

SCHEMBL5407515

CC.CC(=O)c1cccc(C(C)C)c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MDM4 O15151 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TYR P14679 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CA5A P35218 1/20 0.48
HTT P42858 1/20 0.48
HDAC4 P56524 1/20 0.48

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
SCHEMBL2737366 0.98 RXRA (0.51) RXRARXRBRXRGALDH1A1SMN1; SMN2
Hydrogen Peroxide SCHEMBL9061056 0.96 RXRA (0.54) RXRARXRBRXRGALDH1A1SMN1; SMN2
SCHEMBL11816271 0.84 MEN1 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4ECYP3A4
SCHEMBL2716146 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTKDM4ECYP3A4
SCHEMBL11756980 0.83 MAPT (0.65) RXRARXRBRXRGALDH1A1SMN1; SMN2
SCHEMBL21374188 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTKDM4ECYP3A4
SCHEMBL28999793 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTKDM4ECYP3A4
SCHEMBL597590 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTKDM4ECYP3A4
SCHEMBL27845336 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTKDM4ECYP3A4
SCHEMBL3887369 0.82 RXRA (0.51) RXRARXRBRXRGALDH1A1SMN1; SMN2

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-3624596-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD International Flavors & Fragrances Inc. (US) 2020-03-25 EP disclosed
US-20200068928-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. 2020-03-05 US disclosed
WO-2018213154-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-11-22 WO disclosed
US-7250160-B2 Jasmonic acid and jasmonic acid ester stereoisomers and compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-07-31 US disclosed
US-20030186399-A1 Bioprocess for the high-yield production of food flavor-accaptable jasmonic acid and methyl jasmonate, novel jasmonic acid isomer produced thereby and uses thereof FARBOOD MOHAMAD I (US) 2003-10-02 US disclosed
US-6458569-B1 FOOD FLAVOR ADDITIVE INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-10-01 US disclosed
US-20020110881-A1 Bioprocess for the high-yield production of food flavor-acceptable jasmonic acid and methyl jasmonate, novel jasmonic acid isomer produced thereby and uses thereof FARBOOD MOHAMAD I (US) 2002-08-15 US disclosed
US-6333180-B1 AEROBIC CULTURE OF DIPLODIA AND ISOLATION OF JASMONIC ACID PRODUCTS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-12-25 US disclosed
EP-1118672-A2 Production of food flavor-acceptable jasmonic acid and methyl jasmonate by Diplodia gossypina INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2001-07-25 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-20020110881-A1 Bioprocess for the high-yield production of food flavor-acceptable jasmonic acid and methyl jasmonate, novel jasmonic acid isomer produced thereby and uses thereof FDPS, DHPS, GGPS1 RXRA 808/4885RXRB 827/4885RXRG 1444/4885

“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.