SCHEMBL17518375

SCHEMBL17518375

C[C@H](C/C=C/CN1CCOCC1)[C@@H](O)CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
ANPEP P15144 1/20 0.31
TSHR P16473 2/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL17518249 0.87 KDM4E (0.40) KDM4EALDH1A1GAALMNATSHR
SCHEMBL17518389 0.82 KDM4E (0.42) KDM4EALDH1A1GAAUSP2HSD17B10
SCHEMBL17087400 0.77 KDM4E (0.46) KDM4EALDH1A1GAAUSP2LMNA
SCHEMBL17087501 0.76 KDM4E (0.35) KDM4EALDH1A1GAALMNAL3MBTL1
SCHEMBL17518390 0.75 GAA (0.48) KDM4EALDH1A1GAALMNATSHR
SCHEMBL17518331 0.74 GAA (0.47) KDM4EALDH1A1GAALMNATSHR
SCHEMBL17518320 0.73 KDM4E (0.41) KDM4EALDH1A1GAALMNATSHR
SCHEMBL17518251 0.73 GAA (0.46) KDM4EALDH1A1GAALMNATSHR
SCHEMBL13223660 0.72 ALDH1A1 (0.40) KDM4EALDH1A1USP2HSD17B10LMNA
SCHEMBL17920045 0.71 GRIK1 (0.37) ALDH1A1

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 KDM4E 4374/4885ALDH1A1 3905/4885GAA 1994/4885

“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.