SCHEMBL20468465

SCHEMBL20468465

CN(C)C(=O)OC(C)(C(=O)OCc1ccccc1)C(C)(C)CF

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 2/20 0.38
PTPRC P08575 1/20 0.38
SYK P43405 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
SCHEMBL16407811 0.77 ALDH1A1 (0.46) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL18484548 0.76 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL28269475 0.74 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL27801778 0.74 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL16699608 0.74 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
Benzyl Dimethylcarbamate SCHEMBL14031385 0.74 ALDH1A1 (0.62) ALDH1A1MAPTHPGDKMT2AMAPK1
Benzyl Dimethylcarbamate SCHEMBL5134244 0.74 ALDH1A1 (0.62) ALDH1A1MAPTHPGDKMT2AMAPK1
Benzyl Dimethylcarbamate SCHEMBL20401678 0.74 ALDH1A1 (0.62) ALDH1A1MAPTHPGDKMT2AMAPK1
SCHEMBL18440474 0.73 ALDH1A1 (0.41) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL18484541 0.72 SIGMAR1 (0.41) ALDH1A1CHRM2CHRM4CHRM5CHRM1

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-10617675-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 US disclosed
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 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-10617675-B2 Hepatitis C virus inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885CHRM2 4882/4885CHRM4 4859/4885
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885CHRM2 4882/4885CHRM4 4859/4885

“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.