SCHEMBL20870271

SCHEMBL20870271

CCCCCCCC(CCCCCCC)n1cc(COC)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TK1 P04183 1/20 0.37
ASAH1 Q13510 2/20 0.36
SQOR Q9Y6N5 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK3 P27361 1/20 0.36

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
SCHEMBL20870270 1.00 CYP2C19 (0.46) CYP2C19ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL21275595 0.81 CYP2C19 (0.51) CYP2C19ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL22106705 0.79 CYP2C19 (0.51) CYP2C19ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL20334744 0.79 CYP2C19 (0.51) CYP2C19ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL20334523 0.79 CYP2C19 (0.51) CYP2C19ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL23353346 0.79 CYP2C19 (0.51) CYP2C19ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL23225516 0.78 SQOR (0.53) CYP2C19ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL20820202 0.78 SMN1; SMN2 (0.59) CYP2C19ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL20870266 0.77 SMN1; SMN2 (0.38) CYP2C19ALDH1A1SMN1; SMN2CYP1A2TK1
SCHEMBL20870852 0.76 CYP2C19 (0.48) CYP2C19ALDH1A1SMN1; SMN2CYP1A2GAA

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-11377656-B2 Chemically modified messenger RNA's NOVARTIS AG (CH) 2022-07-05 US disclosed
US-20190100752-A1 CHEMICALLY MODIFIED MESSENGER RNA'S NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-04-04 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 (2 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-20190100752-A1 CHEMICALLY MODIFIED MESSENGER RNA'S NSUN3, RNMT, NSUN2 CYP2C19 4873/4885ALDH1A1 3263/4885SMN1; SMN2 479/4885
US-11377656-B2 Chemically modified messenger RNA's NSUN3, RNMT, NSUN2 CYP2C19 4873/4885ALDH1A1 3263/4885SMN1; SMN2 479/4885

“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.