SCHEMBL21028879

SCHEMBL21028879

CC(C)(C)C1OC(=O)[C@@](O)(c2ccccc2)O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 2/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL10029146 0.79 HCAR3 (0.37) POLBGPR55CHRM2CHRM4SMN1; SMN2
SCHEMBL19850785 0.79 HCAR3 (0.37) POLBGPR55CHRM2CHRM4SMN1; SMN2
SCHEMBL6589887 0.76 MAPK1 (0.34) POLBGPR55CHRM2CHRM4SMN1; SMN2
SCHEMBL1993661 0.76 MAPK1 (0.34) POLBGPR55CHRM2CHRM4SMN1; SMN2
SCHEMBL2795267 0.75 MAPK1 (0.33) POLBGPR55SMN1; SMN2MAPK1ALDH1A1
SCHEMBL7680574 0.75 MAPK1 (0.33) POLBGPR55SMN1; SMN2MAPK1ALDH1A1
SCHEMBL10029114 0.74 EGFR (0.33) CHRM2CHRM4SMN1; SMN2MAPK1USP2
SCHEMBL10557372 0.73 L3MBTL1 (0.40) CHRM2CHRM4SMN1; SMN2MAPK1USP2
SCHEMBL10553064 0.73 L3MBTL1 (0.40) CHRM2CHRM4SMN1; SMN2MAPK1USP2
SCHEMBL19839514 0.72 L3MBTL1 (0.43) CHRM2CHRM4SMN1; SMN2MAPK1L3MBTL1

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-10906871-B2 Processes for making, and methods of using, glycopyrronium compounds DERMIRA, INC. (US) 2021-02-02 US disclosed
US-20190161443-A1 PROCESSES FOR MAKING, AND METHODS OF USING, GLYCOPYRRONIUM COMPOUNDS SWK FUNDING LLC 2019-05-30 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-10906871-B2 Processes for making, and methods of using, glycopyrronium compounds GYPA, TPO, CYP21A2 POLB 2132/4885GPR55 944/4885CHRM2 735/4885
US-20190161443-A1 PROCESSES FOR MAKING, AND METHODS OF USING, GLYCOPYRRONIUM COMPOUNDS GYPA, TPO, CYP21A2 POLB 2132/4885GPR55 944/4885CHRM2 735/4885

“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.