SCHEMBL14736142

SCHEMBL14736142

COc1cccc(C(=O)COC(=O)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL15229186 0.85 RXFP1 (0.46) ALDH1A1MAPTTDP1NPC1POLB
SCHEMBL14736097 0.85 MAPT (0.49) ALDH1A1MAPTNPC1RAB9APOLB
SCHEMBL3569604 0.84 MAPT (0.48) MAPTTDP1NPC1RAB9APOLB
SCHEMBL21509796 0.81 CES2 (0.50) NPC1RAB9APOLBBLMSMN1; SMN2
SCHEMBL14736574 0.79 CYP3A4 (0.51) ALDH1A1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL14736406 0.77 L3MBTL1 (0.49) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL17737799 0.77 HTR1A (0.41) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL29828709 0.76 KDM4E (0.47) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL27821331 0.76 KDM4E (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL17737795 0.75 KMT2A (0.46) ALDH1A1MAPTTDP1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A ALDH1A1 775/4885MAPT 1196/4885TDP1 157/4885

“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.