SCHEMBL15929795

SCHEMBL15929795

COC(=O)C1=C[C@@H](C)[C@H]2O[C@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
THRB P10828 1/20 0.33
CHRM1 P11229 1/20 0.33
BLM P54132 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31
SLC6A4 P31645 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL14259702 0.83 CHRM3 (0.33) SLC6A3CHRM3LMNACHRM2CHRM4
SCHEMBL15933108 0.79 LMNA (0.31) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL19275006 0.77 ALDH1A1 (0.39) CHRM3LMNACHRM2CHRM4CHRM5
Phyllostin SCHEMBL29559142 0.74 MAPK1 (0.30) LMNA
SCHEMBL8588994 0.74
SCHEMBL15983812 0.73 MAPT (0.35) SLC6A3CHRM3LMNACHRM2CHRM4
SCHEMBL14259511 0.73 SLC6A3 (0.33) SLC6A3MAPTTSHRKMT2AHSD17B10
SCHEMBL15929789 0.70 CHRM3 (0.37) SLC6A3CHRM3LMNACHRM2CHRM4
SCHEMBL28354991 0.70 MAPT (0.35) SLC6A3CHRM3LMNACHRM2CHRM4
SCHEMBL21703854 0.68 MMP1 (0.35) ALDH1A1CA12CA9

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-9040738-B2 Intermediate compounds of tamiflu, methods of preparation and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-07 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-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF NNMT, FLT3, TPMT SLC6A3 2605/4885CHRM3 1565/4885LMNA 1845/4885

“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.