SCHEMBL6166837

SCHEMBL6166837

CC(C)(C)OC(=O)CC(=O)c1cccc(-n2cc(COC3CCCCO3)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 1/20 0.42
MLLT1 Q03111 1/20 0.42
CREBBP Q92793 2/20 0.42
EP300 Q09472 1/20 0.42
MAPK10 P53779 1/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
ALOX5AP P20292 1/20 0.34
HSD11B1 P28845 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
RIPK2 O43353 1/20 0.34
PLOD2 O00469 1/20 0.33
PLOD3 O60568 1/20 0.33

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
SCHEMBL6611947 0.90 MLLT3 (0.45) MLLT3MLLT1CREBBPEP300MAPK10
SCHEMBL6164801 0.87 CREBBP (0.44) MLLT3MLLT1CREBBPEP300MAPK10
SCHEMBL6165357 0.81 HSD11B1 (0.40) CREBBPEP300ICAM1SELEMEN1
SCHEMBL6164899 0.81 CREBBP (0.37) CREBBPEP300MEN1KMT2AHSD11B1
SCHEMBL6164847 0.81 CREBBP (0.37) MLLT3MLLT1CREBBPEP300MAPK10
SCHEMBL6164284 0.80 CREBBP (0.36) MLLT3MLLT1CREBBPEP300MAPK10
SCHEMBL6607850 0.78 CREBBP (0.39) MLLT3MLLT1CREBBPEP300MAPK10
SCHEMBL6164557 0.77 USP30 (0.36) CREBBPEP300ICAM1SELEMEN1
SCHEMBL6167137 0.77 HSD11B1 (0.42) MEN1KMT2ANPC1RAB9AHSD11B1
SCHEMBL5557855 0.75 USP30 (0.38) CREBBPEP300ICAM1SELEMEN1

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 MLLT3 2277/4885MLLT1 1857/4885CREBBP 970/4885

“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.