SCHEMBL3736129

SCHEMBL3736129

COc1ccc(C(=O)CCc2ccc(C)cc2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.78
WNT3A P56704 3/20 0.78
ACHE P22303 3/20 0.71
PAX8 Q06710 1/20 0.64
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 2/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 2/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.50

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
SCHEMBL15969047 0.88 CTNNB1 (1.00) CTNNB1WNT3AACHEPAX8LMNA
SCHEMBL3730274 0.87 ACHE (0.70) CTNNB1WNT3AACHELMNAMAPT
SCHEMBL4601794 0.87 ACHE (0.73) CTNNB1WNT3AACHELMNAL3MBTL1
SCHEMBL3735519 0.83 ACHE (0.65) CTNNB1WNT3AACHELMNAMAPT
SCHEMBL9827940 0.82 ACHE (0.64) CTNNB1WNT3AACHEMAPTALDH1A1
SCHEMBL10455919 0.82 CTNNB1 (0.83) CTNNB1WNT3AACHEPAX8MAPT
SCHEMBL28650786 0.81 LMNA (0.76) CTNNB1WNT3ALMNAMAPTL3MBTL1
SCHEMBL8071141 0.81 CTNNB1 (0.61) CTNNB1WNT3AACHEPAX8LMNA
SCHEMBL4940823 0.81 KMT2A (0.62) CTNNB1WNT3ALMNAMAPTL3MBTL1
SCHEMBL31556192 0.79 CTNNB1 (0.73) CTNNB1WNT3AACHEPAX8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 CTNNB1 2968/4885WNT3A 3424/4885ACHE 3848/4885

“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.