SCHEMBL908611

SCHEMBL908611

CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2COC3=O)CC1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 2/20 0.41
▸ ST3GAL1 Q11201 1/20 0.41
▸ ST3GAL3 Q11203 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ APP P05067 1/20 0.38
▸ ALOX5 P09917 3/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ PTGS2 P35354 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
SCHEMBL29406154 0.85 APP (0.37) FNTAFNTBAPPALOX5ABCG2
SCHEMBL2624862 0.84 APP (0.38) APPALOX5ABCG2NR1H4BACE1
SCHEMBL30678564 0.84 APP (0.38) APPALOX5ABCG2NR1H4BACE1
SCHEMBL2624847 0.84 APP (0.38) APPALOX5ABCG2NR1H4BACE1
SCHEMBL2624846 0.84 APP (0.38) APPALOX5ABCG2NR1H4BACE1
SCHEMBL13663953 0.82 APP (0.36) APPALOX5ABCG2NR1H4BACE1
SCHEMBL13746651 0.81 APP (0.35) APPALOX5ABCG2NR1H4BACE1
SCHEMBL22863326 0.81 APP (0.35) APPALOX5ABCG2NR1H4BACE1
SCHEMBL29406722 0.81 APP (0.35) APPALOX5ABCG2NR1H4BACE1
SCHEMBL9880208 0.81 APP (0.35) APPALOX5ABCG2NR1H4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 — — US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 — — EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 — — US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 — — US disclosed
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 — — US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 — — EP disclosed
EP-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 — — EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 — — US disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 — — 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 (4 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-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA GRIN1, GRIN2A, GRIN3A ST6GAL1 2951/4885ST3GAL1 1846/4885ST3GAL3 2196/4885
US-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 ST6GAL1 2856/4885ST3GAL1 4275/4885ST3GAL3 4146/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 ST6GAL1 3935/4885ST3GAL1 4494/4885ST3GAL3 4591/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 ST6GAL1 2559/4885ST3GAL1 4270/4885ST3GAL3 4262/4885

“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.

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