SCHEMBL21173246

SCHEMBL21173246

COC(=O)CNCCOC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TSHR P16473 5/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
Hydrochloric Acid SCHEMBL6383517 0.82 LTA4H (0.47) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL68618 0.82 ALDH1A1 (0.50) ALDH1A1GAATSHRCHRM5CHRM1
SCHEMBL5701679 0.82 TSHR (0.46) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL20671321 0.81 ALDH1A1 (0.41) ALDH1A1GAATSHRCHRM5CHRM1
SCHEMBL12889090 0.80 TSHR (0.49) ALDH1A1GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL1062025 0.80 ALDH1A1 (0.48) ALDH1A1GAATSHRCHRM5CHRM1
SCHEMBL5097428 0.80 ALDH1A1 (0.48) ALDH1A1GAATSHRCHRM5CHRM1
SCHEMBL2361759 0.79 TSHR (0.50) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL28201602 0.78 GAA (0.48) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL26298063 0.78 ALDH1A1 (0.43) ALDH1A1GAATSHRCHRM5CHRM1

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-20190216895-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LAUREN SCIENCES LLC (US) 2019-07-18 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-20190216895-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF GFRA2, GFRA1, NGF ALDH1A1 133/4885GAA 318/4885MGAM 779/4885

“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.