SCHEMBL15980405

SCHEMBL15980405

COCOc1cc(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)c(OCOC)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
PTPN1 P18031 1/20 0.41
APP P05067 4/20 0.40
MAOB P27338 3/20 0.39
KMT2A Q03164 1/20 0.38
OSBP P22059 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 3/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
DNMT1 P26358 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 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

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
SCHEMBL806715 0.99 PTPN1 (0.39) BACE1PTPN1APPMAOBOSBP
SCHEMBL15978364 0.91 APP (0.44) BACE1PTPN1APPMAOBOSBP
SCHEMBL806903 0.86 BACE1 (0.42) BACE1PTPN1APPMAOBKMT2A
SCHEMBL10180089 0.84 APP (0.41) BACE1PTPN1APPMAOBOSBP
SCHEMBL806745 0.83 IMPDH2 (0.34) LMNAMAPT
SCHEMBL15978362 0.81 APP (0.42) BACE1PTPN1APPMAOBOSBP
SCHEMBL806720 0.80 HTR2A (0.34) MAPT
SCHEMBL1587330 0.78 PPARG (0.48) MAOBOSBPPPARGPPARA
SCHEMBL8011290 0.78 PPARG (0.48) MAOBOSBPPPARGPPARA
SCHEMBL1587332 0.78 PPARG (0.48) MAOBOSBPPPARGPPARA

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 BACE1 3777/4885PTPN1 4764/4885APP 4717/4885

“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.