SCHEMBL16353043

SCHEMBL16353043

C[N+](C)(C)CCOC(=O)CC(=O)SCC[N+](C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.53
ADRA1A P35348 1/20 0.53
BLM P54132 2/20 0.52
MAPT P10636 1/20 0.52
ACHE P22303 4/20 0.50
CYP2C19 P33261 3/20 0.50
CHRM5 P08912 6/20 0.48
CHRM1 P11229 6/20 0.48
CHRM3 P20309 6/20 0.48
CHRM2 P08172 5/20 0.48
CHRM4 P08173 5/20 0.48
CHRNB2 P17787 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNA7 P36544 3/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTR1A P08908 2/20 0.48

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
SCHEMBL16353070 0.84 ADRA2A (0.68) ADRA2AADRA1ABLMMAPTACHE
SCHEMBL16353075 0.82 ADRA2A (0.60) ADRA2AADRA1ABLMMAPTACHE
SCHEMBL16353059 0.82 ADRA2A (0.60) ADRA2AADRA1ABLMMAPTACHE
SCHEMBL16353068 0.82 CYP2C19 (0.62) ADRA2AADRA1ABLMACHECYP2C19
SCHEMBL16353073 0.80 ADRA2A (0.73) ADRA2AADRA1ABLMMAPTACHE
SCHEMBL2878471 0.78 CYP2C19 (0.64) ADRA2AADRA1ABLMACHECYP2C19
SCHEMBL14045415 0.78 CHRM1 (0.64) ADRA2AADRA1ABLMMAPTACHE
SCHEMBL780253 0.74 ADRA2A (0.64) ADRA2AADRA1ABLMMAPTACHE
SCHEMBL5335351 0.73 CYP2C19 (0.62) ADRA2AADRA1ABLMMAPTACHE
Hydrochloric Acid SCHEMBL28127021 0.72 MAPT (0.65) ADRA2AADRA1ABLMMAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11720018-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
US-20230152692-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152692-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20220004101-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-06 US disclosed
US-20210033969-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20180143532-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-24 US disclosed
US-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed
US-20140377706-A1 DEVELOPER FOR PHOTOSENSITIVE RESIST MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-25 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-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SLC9A1, FN1, EPCAM ADRA2A 3217/4885ADRA1A 1359/4885BLM 2848/4885

“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.