SCHEMBL5999904

SCHEMBL5999904

Sc1c[c]c2ccccc2c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
NQO2 P16083 1/20 0.31
CYP2A6 P11509 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL2314445 0.76 MAPT (0.35) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL456729 0.74 CYP2A6 (0.46) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL455449 0.73 ALDH1A1 (0.32) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL458135 0.73 CYP2A6 (0.44) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL3952850 0.73 CYP1A2 (0.44) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL75079 0.73 ALDH1A1 (0.44) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL457801 0.73 CYP2A6 (0.44) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL9720823 0.73 CYP2A6 (0.44) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL458019 0.73 CYP2A6 (0.44) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL2256003 0.71 ALDH1A1 (0.39) ALDH1A1MAPTCYP2A6

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
CN-112175178-B Polycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2023-04-11 CN disclosed
CN-112175178-A Polycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2021-01-05 CN disclosed
US-20060079499-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING 2006-04-13 US disclosed
US-20050182046-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2005-08-18 US disclosed
US-6683075-B1 FUSED NITROGENHETEROCYCLIC AMIDES; ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-01-27 US disclosed
US-6632811-B2 Administering cycloalkyl, lactam, lactone compounds for for inhibiting beta -amyloid peptide release and/or its synthesis in a cell ATHENA NEUROSCIENCES, INC. 2003-10-14 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 (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-20060079499-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ALDH1A1 3897/4885GLA 24/4885MAPT 34/4885
US-20050182046-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ALDH1A1 3897/4885GLA 24/4885MAPT 34/4885

“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.