SCHEMBL5744462

SCHEMBL5744462

CC(C)(C)OC(=O)N1CCCC1C=CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.38
UCHL1 P09936 2/20 0.37
EPHX1 P07099 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP30 Q70CQ3 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
SCHEMBL5744460 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL5940026 0.96 HSD17B10 (0.44) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL5940033 0.96 HSD17B10 (0.44) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL25177834 0.91 HSD17B10 (0.41) HSD17B10SMN1; SMN2HPGDEPHX1
SCHEMBL31347351 0.91 HSD17B10 (0.41) HSD17B10SMN1; SMN2HPGDEPHX1
SCHEMBL25177835 0.91 HSD17B10 (0.41) HSD17B10SMN1; SMN2HPGDEPHX1
SCHEMBL25969763 0.88 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL19965342 0.86 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL16551786 0.86 HSD17B10 (0.43) HSD17B10SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL7993092 0.86 HSD17B10 (0.43) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412328-B1 DOLASTATIN 10 DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-10-04 EP disclosed
US-20060178359-A1 Tricyclic compound, process for producing the same, and use SYNGENTA CROP PROTECTION AG (CH) 2006-08-10 US disclosed
EP-1593681-A1 TRICYCLIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP disclosed
US-6737409-B2 FOR CANCER THERAPY HOFFMANN-LA ROCHE INC. 2004-05-18 US disclosed
EP-1412328-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-04-28 EP disclosed
US-20030055002-A1 Dolastatin 10 derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2003008378-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO disclosed
WO-1994002477-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 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 (2 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-20030055002-A1 Dolastatin 10 derivatives DAD1, DDOST, NPC1 HSD17B10 160/4885SMN1; SMN2 4012/4885NPC1 3/4885
US-20060178359-A1 Tricyclic compound, process for producing the same, and use CCR4, CCR5, CCR1 HSD17B10 2112/4885SMN1; SMN2 1369/4885NPC1 577/4885

“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.