Ethylene

Ethylene

SCHEMBL3129087

C=C.CCOC(C)OCC.O=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.52
MAPT P10636 9/20 0.49
ALDH1A1 P00352 8/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGS2 P35354 1/20 0.43
RAB9A P51151 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
SCHEMBL3138637 0.85 HSPB1 (0.69) HSPB1MAPTALDH1A1LMNASMN1; SMN2
Ethylene SCHEMBL3138471 0.82 KDM4E (0.52) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL4598527 0.80 ALDH1A1 (0.64) HSPB1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL20507252 0.80 PTGS2 (0.51) MAPTALDH1A1LMNASMN1; SMN2MAPK1
Ethylene Glycol SCHEMBL5517676 0.78 PTGS2 (0.45) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL20932230 0.74 HSPB1 (0.82) HSPB1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL15055825 0.74 HSPB1 (0.68) HSPB1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3143148 0.74 L3MBTL1 (0.70) HSPB1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3134912 0.73 HSPB1 (0.53) HSPB1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3134922 0.73 HSPB1 (0.53) HSPB1MAPTALDH1A1LMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 HSPB1 3924/4885MAPT 4315/4885ALDH1A1 565/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HSPB1 2071/4885MAPT 4866/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HSPB1 1573/4885MAPT 4163/4885ALDH1A1 475/4885

“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.