SCHEMBL3612669

SCHEMBL3612669

C/C=C/C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
UCHL1 P09936 2/20 0.39
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL19958804 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3612674 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3604748 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL5848851 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3592625 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL2688839 0.95 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL2688835 0.95 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL15356409 0.88 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL7851601 0.85 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL22036328 0.85 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 HSD17B10 417/4885SMN1; SMN2 4057/4885NPC1 3378/4885

“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.