SCHEMBL23789641

SCHEMBL23789641

COC(=O)/C=C/C(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
BLM P54132 1/20 0.68
CYP1A2 P05177 1/20 0.66
ADRB2 P07550 1/20 0.66
ADRB1 P08588 1/20 0.66
CYP3A4 P08684 1/20 0.66
HTR1A P08908 1/20 0.66
CYP2D6 P10635 1/20 0.66
ADRB3 P13945 1/20 0.66
NFKB1 P19838 1/20 0.66
DRD1 P21728 1/20 0.66
SIGMAR1 Q99720 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTT P42858 2/20 0.47

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
SCHEMBL1629066 0.97 SMN1; SMN2 (0.72) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL21688483 0.97 SMN1; SMN2 (0.72) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL2519561 0.97 SMN1; SMN2 (0.72) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL1588408 0.94 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL4434481 0.94 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL7591866 0.94 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL1588404 0.94 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL22260724 0.94 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL23789637 0.93 SMN1; SMN2 (0.66) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL21688913 0.92 SMN1; SMN2 (0.65) SMN1; SMN2BLMCYP1A2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210275456-A1 AGGREGATED MICROPARTICLES Graybug Vision, Inc. (US) 2021-09-09 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-20210275456-A1 AGGREGATED MICROPARTICLES VCL, MYOC, CD44 SMN1; SMN2 961/4885BLM 111/4885CYP1A2 4859/4885

“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.