SCHEMBL3742835

SCHEMBL3742835

O=C(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 12/20 0.58
WNT3A P56704 11/20 0.58
ACHE P22303 1/20 0.58
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
KLF5 Q13887 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL3743178 0.92 CTNNB1 (0.67) CTNNB1WNT3AALDH1A1HPGDSMN1; SMN2
SCHEMBL15979905 0.89 CTNNB1 (0.69) CTNNB1WNT3AALDH1A1HPGDMAOB
SCHEMBL17694670 0.85 CTNNB1 (0.66) CTNNB1WNT3AACHEALDH1A1HPGD
SCHEMBL15969955 0.81 CTNNB1 (0.78) CTNNB1WNT3AALDH1A1HPGD
SCHEMBL3739871 0.81 CTNNB1 (0.59) CTNNB1WNT3AACHEALDH1A1HPGD
SCHEMBL15979889 0.81 CTNNB1 (0.85) CTNNB1WNT3AALDH1A1KDM4E
SCHEMBL3734915 0.80 CTNNB1 (0.62) CTNNB1WNT3AACHEALDH1A1HPGD
SCHEMBL31415979 0.80 ACHE (0.58) CTNNB1WNT3AACHEALDH1A1HPGD
SCHEMBL1041554 0.79 ALDH1A1 (0.69) ALDH1A1HPGDTDP1NPC1RAB9A
SCHEMBL3732219 0.78 CTNNB1 (0.47) CTNNB1WNT3AALDH1A1HPGDSMN1; SMN2

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.