SCHEMBL23623232

SCHEMBL23623232

CC(=O)OCC(C)(C)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
GAA P10253 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32

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
SCHEMBL28177724 0.81 TSHR (0.44) ALDH1A1TSHR
SCHEMBL10012056 0.80 ADRA2A (0.35) ALDH1A1TSHR
SCHEMBL28340914 0.80 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL724344 0.80 LMNA (0.48) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL4323110 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL20759694 0.78 ALDH1A1 (0.35) ALDH1A1TSHRMEN1KMT2A
SCHEMBL8357550 0.78 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL10010089 0.77 TSHR (0.38) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL1171251 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL10012816 0.77 DGKA (0.39) ALDH1A1LMNATSHRGAAMEN1

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-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY VERA THERAPEUTICS INC (US) 2021-07-08 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-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AGO2, TARBP1, TPR ALDH1A1 4394/4885LMNA 1794/4885HSD17B10 3292/4885

“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.