SCHEMBL13836286

SCHEMBL13836286

C=CCNC(=O)OCCCCCCOC(=O)NCC=C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.50
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
FAAH O00519 1/20 0.43
EPHX1 P07099 1/20 0.42
KMT2A Q03164 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
SCHEMBL20839538 0.91 ACHE (0.61) ACHETSHRFAAHEPHX1
SCHEMBL11338236 0.91 ACHE (0.61) ACHETSHRFAAHEPHX1
SCHEMBL23111386 0.89 TSHR (0.46) ACHETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL29939 0.89 ACHE (0.58) ACHEFAAHEPHX1
SCHEMBL1486852 0.86 ACHE (0.55) ACHETSHRFAAHEPHX1
SCHEMBL28255343 0.86 TSHR (0.42) ACHETSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8928159 0.83 ACHE (0.48) ACHETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL21570876 0.83 TSHR (0.48) ACHETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL4458944 0.82 ACHE (0.47) ACHETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL8865477 0.82 TSHR (0.41) ACHETSHRALDH1A1SMN1; SMN2MAPT

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-8697785-B2 N-allyl carbamate compounds and use thereof, in particular in radiation-curing coatings Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2014-04-15 US disclosed
US-20120296021-A1 N-ALLYL CARBAMATE COMPOUNDS AND USE THEREOF, IN PARTICULAR IN RADIATION-CURING COATINGS FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V (DE) 2012-11-22 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 (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-20120296021-A1 N-ALLYL CARBAMATE COMPOUNDS AND USE THEREOF, IN PARTICULAR IN RADIATION-CURING COATINGS C9, ERCC1, C5 ACHE 1557/4885TSHR 1559/4885ALDH1A1 441/4885

“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.