SCHEMBL3825010

SCHEMBL3825010

CCOC(=O)CC(=O)c1cc(C)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 6/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 4/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
GAA P10253 3/20 0.46
CYP2C19 P33261 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL3821418 0.82 MAPT (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6133225 0.79 MAPT (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL434805 0.79 MEN1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL12261481 0.78 MAPT (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL19101404 0.75 MAPT (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL18623686 0.75 NPC1 (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6291719 0.74 MAPT (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL14548859 0.73 MAPT (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL15719075 0.73 MEN1 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3579787 0.73 MAPT (0.50) NPC1RAB9AMEN1KMT2AALDH1A1

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
US-20240239781-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2024-07-18 US disclosed
EP-4326716-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-02-28 EP disclosed
WO-2022223554-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-10-27 WO disclosed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
WO-2006004191-A1 PYRROLOPYRIDAZINE DERIVATIVES WHICH INHIBIT PDE IV AND TNF ALFA ASTELLAS PHARMA INC. (JP) 2006-01-12 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-20240239781-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS SIGMAR1, TMEM97, OPRD1 NPC1 937/4885RAB9A 3999/4885MEN1 4564/4885
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 NPC1 2552/4885RAB9A 4343/4885MEN1 3728/4885

“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.