SCHEMBL10018290

SCHEMBL10018290

C=CCOC(=O)NCC(C)(C)C(=O)SCCCCO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 6/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10018282 0.91 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL10018274 0.82
SCHEMBL10050039 0.78 ACHE (0.31) TDP1ACHESMN1; SMN2
SCHEMBL10018267 0.77
SCHEMBL15634844 0.74 CYP4F2 (0.35) ACHESMN1; SMN2CYP4F2CYP4A11TSHR
SCHEMBL10049881 0.71 SMN1; SMN2 (0.33) SMN1; SMN2TSHR
SCHEMBL20058601 0.71 TDP1 (0.31) TDP1
SCHEMBL12975284 0.71 BRD4 (0.32)
SCHEMBL991007 0.70 ACHE (0.51) TDP1ACHE
SCHEMBL14458906 0.70 ACHE (0.51) TDP1ACHE

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-20120142763-A1 NUCLEIC ACID DELIVERY COMPOSITIONS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-07 US disclosed
US-20120142763-A1 NUCLEIC ACID DELIVERY COMPOSITIONS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-07 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-20120142763-A1 NUCLEIC ACID DELIVERY COMPOSITIONS AND METHODS OF USE THEREOF NSUN3, NSUN2, DIS3 TDP1 71/4885ACHE 4761/4885SMN1; SMN2 265/4885

“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.