SCHEMBL17518331

SCHEMBL17518331

C[C@H](CCCCN1CCOCC1)[C@@H](O)CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.41
KEAP1 Q14145 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
PAOX Q6QHF9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL17518251 0.99 GAA (0.46) GAAKDM4EALDH1A1KEAP1SMN1; SMN2
SCHEMBL17518390 0.96 GAA (0.48) GAAKDM4EALDH1A1KEAP1SMN1; SMN2
SCHEMBL17087400 0.90 KDM4E (0.46) GAAKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL17518320 0.85 KDM4E (0.41) GAAKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2015998 0.80 GAA (0.46) GAAKDM4EALDH1A1KEAP1SMN1; SMN2
SCHEMBL2011097 0.80 GAA (0.46) GAAKDM4EALDH1A1KEAP1SMN1; SMN2
SCHEMBL1818750 0.80 GAA (0.46) GAAKDM4EALDH1A1KEAP1SMN1; SMN2
SCHEMBL1820562 0.80 GAA (0.46) GAAKDM4EALDH1A1KEAP1SMN1; SMN2
SCHEMBL27390593 0.78 KEAP1 (0.48) GAAKDM4EALDH1A1KEAP1SMN1; SMN2
SCHEMBL17518249 0.77 KDM4E (0.40) GAAKDM4EALDH1A1SMN1; SMN2LMNA

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-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US disclosed
US-20160039880-A1 CYCLOSPORIN A ANALOGS ALLERGAN, INC. 2016-02-11 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-20160039880-A1 CYCLOSPORIN A ANALOGS TSLP, CHP1, PPP3R1 GAA 1994/4885KDM4E 4374/4885ALDH1A1 3905/4885

“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.