SCHEMBL15978362

SCHEMBL15978362

C=CCc1cc(C)c(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)cc1OCOC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.42
MAOB P27338 5/20 0.41
BACE1 P56817 3/20 0.41
PTPN1 P18031 2/20 0.41
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
MAPK1 P28482 1/20 0.37
DRD3 P35462 1/20 0.37
SNCA P37840 1/20 0.37
PDE3A Q14432 1/20 0.37
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
OSBP P22059 1/20 0.35

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
SCHEMBL806903 0.94 BACE1 (0.42) APPMAOBBACE1PTPN1LMNA
SCHEMBL15978364 0.84 APP (0.44) APPMAOBBACE1PTPN1LMNA
SCHEMBL15978281 0.82 IMPDH2 (0.32) LMNAMAPK1
SCHEMBL15980405 0.81 BACE1 (0.41) APPMAOBBACE1PTPN1LMNA
SCHEMBL806715 0.80 PTPN1 (0.39) APPMAOBBACE1PTPN1MAPT
SCHEMBL10180089 0.80 APP (0.41) APPMAOBBACE1PTPN1LMNA
SCHEMBL806744 0.78 KDM4E (0.38) PTPN1MAPTMAPK1
SCHEMBL12042775 0.77 PTPN1 (0.44) APPMAOBBACE1PTPN1PTGS1
SCHEMBL8011278 0.76 BACE1 (0.55) APPMAOBBACE1PTPN1ACHE
SCHEMBL806751 0.75 KDM4E (0.33) PTPN1LMNAHTR1AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM APP 4717/4885MAOB 3705/4885BACE1 3777/4885

“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.