SCHEMBL20905972

SCHEMBL20905972

CCNC(=O)OCCCCOCCCCOC(=O)NCC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.57
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
EPHX1 P07099 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL16673943 0.93 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10812054 0.91 ACHE (0.67) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5246214 0.88 ACHE (0.53) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5546852 0.87 ACHE (0.68) ACHEEPHX1
SCHEMBL18902746 0.86 ACHE (0.60) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5246051 0.85 ACHE (0.47) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5249158 0.85 ACHE (0.47) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25220749 0.85 ACHE (0.71) ACHEEPHX1
SCHEMBL25228774 0.85 ACHE (0.71) ACHEEPHX1
SCHEMBL25277844 0.85 ACHE (0.71) ACHEEPHX1

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-20190112413-A1 SILICON-CONTAINING COMPOUND, URETHANE RESIN, STRETCHABLE FILM, AND METHOD FOR FORMING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-18 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-20190112413-A1 SILICON-CONTAINING COMPOUND, URETHANE RESIN, STRETCHABLE FILM, AND METHOD FOR FORMING THE SAME PNISR, OR10J3, OXSR1 ACHE 3406/4885CHRNB2 2427/4885CHRNB4 2254/4885

“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.