SCHEMBL3319979

SCHEMBL3319979

CCOC(=O)C1CCC(OC(C)CC(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2341731 1.00 MAPT (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2338908 1.00 MAPT (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2340691 0.83 MAPT (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2337010 0.83 MAPT (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2337013 0.83 MAPT (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2339415 0.83 MAPT (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14832682 0.79 MAPT (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2339444 0.79 MAPT (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2339937 0.79 MAPT (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2340545 0.79 MAPT (0.50) MAPTALDH1A1KDM4EMEN1KMT2A

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
US-8642590-B2 Alkylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2358714-B1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN LA ROCHE (CH) 2012-08-01 EP disclosed
US-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, OXTR MAPT 4699/4885ALDH1A1 298/4885KDM4E 2298/4885

“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.