SCHEMBL18748472

SCHEMBL18748472

CCCCCCN(CC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ HDAC3 O15379 5/20 0.45
▸ HDAC1 Q13547 5/20 0.45
▸ HDAC2 Q92769 5/20 0.45
▸ HDAC8 Q9BY41 4/20 0.45
▸ NCOR2 Q9Y618 3/20 0.45
▸ HDAC4 P56524 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ CNR2 P34972 1/20 0.44

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
SCHEMBL25539127 0.89 AKT1 (0.48) BCHEACHEHDAC3HDAC1HDAC2
SCHEMBL19088163 0.86 LTA4H (0.42) BCHEACHEAKT1PPARGPPARA
SCHEMBL7570965 0.86 AKT1 (0.50) AKT1
SCHEMBL30915258 0.86 AKT1 (0.50) AKT1
SCHEMBL782348 0.86 AKT1 (0.55) AKT1L3MBTL1
SCHEMBL7562431 0.85 AKT1 (0.49) AKT1
SCHEMBL3775112 0.84 AKT1 (0.51) AKT1
SCHEMBL3844227 0.84 MEN1 (0.52) ACHEAKT1
SCHEMBL23130693 0.84 AKT1 (0.50) AKT1
SCHEMBL8018235 0.84 AKT1 (0.50) AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107195-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-04-20 — — US disclosed
US-20170107195-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-04-20 — — 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-20170107195-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A BCHE 3611/4885ACHE 3799/4885KCNH2 291/4885

“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.

Send feedback