SCHEMBL17675423

SCHEMBL17675423

CC1CC(=C2Cc3ccc(Br)cc3C2=O)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
METAP1 P53582 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ADRA2A P08913 1/20 0.37
PNMT P11086 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S100A4 P26447 1/20 0.35
ACHE P22303 1/20 0.35
TDP2 O95551 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL17675455 0.77 GRM2 (0.36) ACHETDP2
SCHEMBL17675492 0.75 TDP1 (0.46) TDP1L3MBTL1METAP1LMNAHTT
SCHEMBL10057541 0.71 TDP1 (0.63) TDP1L3MBTL1METAP1S100A4TDP2
SCHEMBL8206319 0.68 TDP1 (0.55) PBRM1TDP1L3MBTL1METAP1S100A4
SCHEMBL27761880 0.67 METAP1 (0.65) TDP1L3MBTL1METAP1S100A4TDP2
SCHEMBL25920001 0.65 TDP1 (0.51) TDP1L3MBTL1METAP1S100A4TDP2
SCHEMBL31073 0.65 METAP1 (0.79) TDP1L3MBTL1METAP1S100A4TDP2
SCHEMBL6475805 0.64 ACHE (0.66) PBRM1TDP1L3MBTL1METAP1ADRA2A
SCHEMBL29980313 0.64 ACHE (0.66) PBRM1TDP1L3MBTL1METAP1ADRA2A
SCHEMBL394145 0.64 TDP1 (0.80) TDP1L3MBTL1METAP1ALDH1A1NPC1

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-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
US-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-02 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
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 PBRM1 2512/4885TDP1 87/4885L3MBTL1 3469/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP PBRM1 2512/4885TDP1 87/4885L3MBTL1 3469/4885

“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.