SCHEMBL7059795

SCHEMBL7059795

C=C(OCCOC(C)=O)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 4/20 0.48
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43

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
Acetic Acid SCHEMBL5944780 0.88 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1CHRM5
SCHEMBL15642200 0.83 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL10726944 0.82 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10TDP1CHRM5
SCHEMBL28513647 0.80 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
Ethylene SCHEMBL3893318 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10TDP1CHRM5
Ethylene SCHEMBL8445487 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10TDP1CHRM5
Ethylene SCHEMBL18893745 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10TDP1CHRM5
Ethylene SCHEMBL11779173 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10TDP1CHRM5
Ethylene SCHEMBL966275 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10TDP1CHRM5
SCHEMBL64593 0.79 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10TDP1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 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 (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-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ALDH1A1 153/4885TSHR 4747/4885HSD17B10 1824/4885

“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.