SCHEMBL5364402

SCHEMBL5364402

COC[C@@H]1CCCN1COC1CCC(C(=O)OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
GAA P10253 1/20 0.38
ARG1 P05089 2/20 0.38
ARG2 P78540 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.35
HCRTR2 O43614 2/20 0.34
VEGFA P15692 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 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
SCHEMBL2434786 0.78 GAA (0.40) HDAC8HDAC6HDAC1GAASMN1; SMN2
SCHEMBL2434777 0.78 GAA (0.40) HDAC8HDAC6HDAC1GAASMN1; SMN2
SCHEMBL6767190 0.78 SMN1; SMN2 (0.43) GAASMN1; SMN2TP53ALDH1A1POLB
SCHEMBL2429329 0.76 SMN1; SMN2 (0.35) HDAC8HDAC6HDAC1GAASMN1; SMN2
SCHEMBL2436660 0.76 GAA (0.44) GAASMN1; SMN2TP53ALDH1A1POLB
SCHEMBL2432453 0.76 GAA (0.44) GAASMN1; SMN2TP53ALDH1A1POLB
SCHEMBL607784 0.73 HDAC8 (0.44) HDAC8HDAC6HDAC1ARG1ARG2
SCHEMBL15811824 0.73 HDAC8 (0.44) HDAC8HDAC6HDAC1ARG1ARG2
SCHEMBL6409367 0.73 HDAC8 (0.44) HDAC8HDAC6HDAC1ARG1ARG2
SCHEMBL3565970 0.71 HDAC8 (0.51) HDAC8HDAC6HDAC1ARG1ARG2

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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 HDAC8 1158/4885HDAC6 1366/4885HDAC1 573/4885

“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.