SCHEMBL22020962

SCHEMBL22020962

CC(C)(CN1CCOCC1)SS

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 4/20 0.33
SIGMAR1 Q99720 1/20 0.33
KEAP1 Q14145 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
MGLL Q99685 1/20 0.31
CYP2A13 Q16696 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL872596 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL20803847 0.78 HRH3 (0.32) ALDH1A1SMN1; SMN2KDM4ESIGMAR1MEN1
SCHEMBL10080570 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL21943642 0.77 HTT (0.36) ALDH1A1RECQLKDM4EMGLL
SCHEMBL1708968 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL179555 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL8261443 0.75 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL10153213 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL18116866 0.72 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RECQLUSP2GAA
SCHEMBL19407841 0.72 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RECQLUSP2KDM4E

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-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-04-07 US disclosed
US-20200157545-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2020-05-21 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-20200157545-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF RNASE1, RNASEH1, RNASEL ALDH1A1 1745/4885SMN1; SMN2 161/4885RECQL 393/4885
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 ALDH1A1 428/4885SMN1; SMN2 4857/4885RECQL 4655/4885

“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.