Ethane

Ethane

SCHEMBL20186012

CC.Cc1ccccc1C(=O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.48
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MYC P01106 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL1199962 0.98 CES1 (0.50) CES1HTTMAPK1HPGDERCC5
SCHEMBL29645048 0.98 CES1 (0.50) CES1HTTMAPK1HPGDERCC5
SCHEMBL29137330 0.83 HPGD (0.44) HTTHPGDERCC5FEN1ALDH1A1
SCHEMBL1278673 0.82 HPGD (0.43) HTTHPGDERCC5FEN1ALDH1A1
SCHEMBL1278501 0.82 HPGD (0.43) HTTHPGDERCC5FEN1ALDH1A1
SCHEMBL28181777 0.82 TRPA1 (0.45) CES1HTTMAPK1HPGDALDH1A1
SCHEMBL8957439 0.80 ALDH1A1 (0.60) CES1HTTHPGDALDH1A1SMN1; SMN2
SCHEMBL7949878 0.78 HPGD (0.47) HTTHPGDERCC5FEN1ALDH1A1
Toluic Acid SCHEMBL4746481 0.78 ALDH1A1 (0.52) HTTHPGDERCC5FEN1ALDH1A1
SCHEMBL8955453 0.77 PTPN1 (0.48) HPGDERCC5FEN1ALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof APALENE TECHNOLOGY CO., LTD. (HANGZHOU) (CN) 2019-10-15 US disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 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-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF UBE2L3, RNF168, AGL CES1 3464/4885HTT 4204/4885MAPK1 3255/4885
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof UBE2L3, COG8, ACSL3 CES1 3277/4885HTT 4129/4885MAPK1 3056/4885

“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.