SCHEMBL15218253

SCHEMBL15218253

CC(=O)OCCOC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
GALR3 O60755 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL11989428 0.95 ALDH1A1 (0.43) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL4696869 0.93 ALDH1A1 (0.41) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL12103952 0.89 ALDH1A1 (0.33) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL21814401 0.89 ALDH1A1 (0.30) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL14724365 0.86 GLA (0.33) ALDH1A1GLALMNAHSD17B10
SCHEMBL1747681 0.86 SMN1; SMN2 (0.39) ALDH1A1TSHRSMN1; SMN2GAAHTT
SCHEMBL29842557 0.85 ALDH1A1 (0.32) ALDH1A1TSHRHSD17B10
SCHEMBL11989407 0.85 ALDH1A1 (0.32) ALDH1A1TSHRHSD17B10
SCHEMBL10052377 0.84 ALDH1A1 (0.37) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL2147484 0.83 KMT2A (0.31) LMNA

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-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2021-07-15 US disclosed
US-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2021-07-15 US disclosed
WO-2020069353-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2020-04-02 WO disclosed
US-9896522-B2 Solid phase fluorescence labeling reagents and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-02-20 US disclosed
US-9896522-B2 Solid phase fluorescence labeling reagents and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-02-20 US disclosed
US-20130224870-A1 FLUORESCENCE LABELING REAGENTS AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-08-29 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-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY KDR, RB1, PDE6C ALDH1A1 2125/4885TSHR 1601/4885CHRM5 3676/4885

“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.