SCHEMBL11961326

SCHEMBL11961326

CCOC(=O)C1CCC(OC(COCc2ccccc2)COCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
EGFR P00533 2/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
CCR8 P51685 1/20 0.44
LTA4H P09960 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL17103459 0.80 PKM (0.55) PKMNPSR1MAPTKDM4EEGFR
SCHEMBL17103461 0.80 PKM (0.55) PKMNPSR1MAPTKDM4EEGFR
SCHEMBL27377437 0.80 PKM (0.55) PKMNPSR1MAPTKDM4EEGFR
SCHEMBL2374934 0.80 PKM (0.52) PKMNPSR1MAPTEGFRALDH1A1
SCHEMBL2374933 0.80 PKM (0.52) PKMNPSR1MAPTEGFRALDH1A1
SCHEMBL17395271 0.74 PKM (0.49) PKMNPSR1MAPTALDH1A1KMT2A
SCHEMBL17783287 0.74 MMP8 (0.55) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL3040544 0.74 MAPT (0.63) PKMNPSR1MAPTEGFRALDH1A1
SCHEMBL6666657 0.73 FABP7 (0.58) PKMALDH1A1KMT2AL3MBTL1
SCHEMBL280126 0.73 FABP7 (0.58) PKMALDH1A1KMT2AL3MBTL1

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 6 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
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
WO-2010057795-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 WO disclosed
US-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 US 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 PKM 3946/4885NPSR1 9/4885MAPT 4699/4885

“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.