SCHEMBL1709310

SCHEMBL1709310

CCC(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.73
HSD17B10 Q99714 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
GAA P10253 1/20 0.63
MAPK1 P28482 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 1/20 0.62

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
SCHEMBL29196210 0.88 HPGD (0.70) HPGDHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL179082 0.88 HPGD (0.73) HPGDHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL179025 0.86 HPGD (0.84) HPGDHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL31248383 0.85 HSD17B10 (0.69) HPGDHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL5191510 0.85 HSD17B10 (0.69) HPGDHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL5820481 0.85 HPGD (0.68) HPGDHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL3567133 0.85 HPGD (0.68) HPGDHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL5820488 0.85 HPGD (0.68) HPGDHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL4991673 0.84 SMN1; SMN2 (0.73) HPGDHSD17B10SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL5189637 0.84 HSD17B10 (0.67) HPGDHSD17B10SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040410-A Preparation method of piperonylethylamine 湖北石河医药科技有限公司 2025-05-27 CN disclosed
CN-116715652-A Preparation method of key intermediate piperonylethylamine of berberine 迪庆顺源生物有限公司 2023-09-08 CN disclosed
EP-2731608-B1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX INC (US) 2018-03-14 EP disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
US-7932264-B2 Sinomenine derivatives and preparation and uses thereof NATUREMED GROUP CORPORATION (US) 2011-04-26 US disclosed
US-20080318966-A1 Sinomenine Derivatives and Preparation and Uses Thereof NIMBUS INNOWORKS LIMITED (CN) 2008-12-25 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 (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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO HPGD 500/4885HSD17B10 2049/4885SMN1; SMN2 1774/4885
US-20080318966-A1 Sinomenine Derivatives and Preparation and Uses Thereof OPRM1, SIN3A, MIF HPGD 411/4885HSD17B10 3209/4885SMN1; SMN2 1786/4885

“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.