SCHEMBL3825540

SCHEMBL3825540

CCOC(=O)c1oc(C)nc1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
P2RX3 P56373 1/20 0.46
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SLC26A6 Q9BXS9 1/20 0.43
TARBP2 Q15633 1/20 0.43
NPC1 O15118 3/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 2/20 0.43
AHR P35869 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALOX5 P09917 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL21633613 0.83 MAPT (0.48) SMN1; SMN2MAPTRAB9AALDH1A1LMNA
SCHEMBL3825228 0.82 P2RX3 (0.46) SMN1; SMN2MAPTP2RX3ALDH1A1KDM4E
SCHEMBL22048325 0.81 PKM (0.43) SMN1; SMN2MAPTRAB9AALDH1A1LMNA
SCHEMBL21678226 0.79 KDM4E (0.38) MAPTRAB9AALDH1A1LMNATARBP2
SCHEMBL11739215 0.78 ALDH1A1 (0.50) SMN1; SMN2MAPTRAB9AALDH1A1LMNA
SCHEMBL3823043 0.78 MAPT (0.48) SMN1; SMN2MAPTP2RX3RAB9AALDH1A1
SCHEMBL6177971 0.78 CYP1A2 (0.41) MAPTRAB9AALDH1A1LMNATARBP2
SCHEMBL20028674 0.76 ADORA3 (0.58) SMN1; SMN2MAPTRAB9AALDH1A1LMNA
SCHEMBL12324413 0.75 CYP1A2 (0.39) MAPTRAB9AALDH1A1LMNATARBP2
SCHEMBL12323577 0.75 PLK1 (0.44) MAPTRAB9AALDH1A1LMNATARBP2

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-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

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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 SMN1; SMN2 4002/4885MAPT 2112/4885P2RX3 909/4885

“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.