SCHEMBL17320671

SCHEMBL17320671

N#CCC(=O)NC1(c2ccc(C#CC3(O)COC3)cc2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.33
XBP1 P17861 1/20 0.33
WDR91 A4D1P6 1/20 0.33
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
DPP4 P27487 1/20 0.32
LMNA P02545 2/20 0.32
MAP3K14 Q99558 1/20 0.32
MCL1 Q07820 1/20 0.31
GRM5 P41594 1/20 0.30
CACNA1H O95180 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL17320670 0.76 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL18675554 0.75 HSD17B10 (0.62) HSD17B10ALDH1A1HTTDPP4MCL1
SCHEMBL18675568 0.74 HSD17B10 (0.45) HSD17B10ALDH1A1KDM4EDPP4MCL1
SCHEMBL17315705 0.71 USP9X (0.46) SMN1; SMN2HPGD
SCHEMBL17315706 0.71 USP9X (0.46) SMN1; SMN2HPGD
SCHEMBL17321816 0.67 IDO1 (0.47) HSD17B10ALDH1A1
SCHEMBL18681903 0.67 HSD17B10 (0.48) HSD17B10ALDH1A1HTTLMNAGRM5
SCHEMBL17321362 0.67 NPSR1 (0.47) HSD17B10SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL17315683 0.62 USP9X (0.46) SMN1; SMN2HPGDALDH1A1L3MBTL1KDM4E
SCHEMBL1608427 0.62 VNN1 (0.42) HTTDPP4POLB

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-20170088520-A1 DEUBIQUITINASE INHIBITORS PHARMAKEA, INC. 2017-03-30 US disclosed
WO-2015187427-A1 DEUBIQUITINASE INHIBITORS PHARMAKEA, INC. (US) 2015-12-10 WO 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-20170088520-A1 DEUBIQUITINASE INHIBITORS USP30, USP1, USP28 HSD17B10 2097/4885SMN1; SMN2 1672/4885HPGD 2922/4885

“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.