SCHEMBL17675643

SCHEMBL17675643

CC1CC2(Cc3ccc(Br)cc3C2=O)CC(C)C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PBRM1 Q86U86 1/20 0.35
PARP1 P09874 2/20 0.34
TDP2 O95551 1/20 0.34
PARP10 Q53GL7 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 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
SCHEMBL19514374 1.00 CA1 (0.37) CA1CA2CA4CA7CA9
SCHEMBL15357712 1.00 CA1 (0.37) CA1CA2CA4CA7CA9
SCHEMBL15357711 1.00 CA1 (0.37) CA1CA2CA4CA7CA9
SCHEMBL15490174 0.89 BACE1 (0.36) CA1CA2CA4CA7CA9
SCHEMBL15490112 0.89 TDP1 (0.39) CA1CA2CA4CA7CA9
SCHEMBL15357673 0.86 BACE1 (0.45) CA1CA2CA4CA7CA9
SCHEMBL17675384 0.86 BACE1 (0.45) CA1CA2CA4CA7CA9
SCHEMBL7882442 0.85 CA1 (0.41) CA1CA2CA4CA7CA9
SCHEMBL1465235 0.85 CA1 (0.41) CA1CA2CA4CA7CA9
SCHEMBL15357705 0.85 BACE1 (0.35) CA1CA2CA4CA7CA9

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-10053453-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-08-21 US disclosed
US-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-02 US disclosed
WO-2016055858-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2016-04-14 WO 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 (2 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-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP CA1 2432/4885CA2 3506/4885CA4 3774/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP CA1 2432/4885CA2 3506/4885CA4 3774/4885

“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.