SCHEMBL20280574

SCHEMBL20280574

CC(C)Cc1ccc(C(=O)OCC[N+](C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
BCHE P06276 1/20 0.56
CHRM1 P11229 3/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM3 P20309 2/20 0.44
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
ESR1 P03372 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
TSHR P16473 2/20 0.41
CXCR1 P25024 2/20 0.41

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
SCHEMBL20012881 0.83 SLC7A5 (0.51) ACHEBCHECHRM1CHRM2CHRM4
SCHEMBL25812489 0.83 ALDH1A1 (0.62) CHRM1PKMMAPK1HSD17B10SCN1A
SCHEMBL22965811 0.83 CYP4F2 (0.49) CHRM1PKMMAPK1HSD17B10SCN1A
SCHEMBL10071524 0.81 PTGS2 (0.60) CHRM1CHRM2CHRM4CHRM3PTGS1
SCHEMBL21019793 0.80 ACHE (0.57) ACHEBCHECHRM1MAPK1LMNA
SCHEMBL20012830 0.80 ACHE (0.57) ACHEBCHECHRM1CHRM2CHRM4
Iodide SCHEMBL7261649 0.80 ACHE (0.57) ACHEBCHECHRM1CHRM2CHRM4
SCHEMBL3027263 0.80 ESR1 (0.64) CHRM1CHRM2MAPK1SCN1ASCN2A
Iodide SCHEMBL1394007 0.79 PTGS2 (0.59) CHRM1PTGS1PTGS2LMNAESR1
SCHEMBL5144211 0.79 ESR1 (0.66) ACHEBCHECHRM1MAPK1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11071485-B2 Bio-electrode composition, bio-electrode, and method for manufacturing bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-07-27 US disclosed
US-10864366-B2 Bio-electrode composition, bio-electrode, and method for manufacturing bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-12-15 US disclosed
US-10743788-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-18 US disclosed
US-20190151648-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-05-23 US disclosed
US-20190117101-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-25 US disclosed
US-20180168470-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-21 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-20190151648-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE FUCA1, GJA1, ASIC1 ACHE 848/4885BCHE 298/4885CHRM1 1736/4885
US-10864366-B2 Bio-electrode composition, bio-electrode, and method for manufacturing bio-electrode FUCA1, GJA1, ASIC1 ACHE 848/4885BCHE 298/4885CHRM1 1736/4885

“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.