SCHEMBL613285

SCHEMBL613285

O=C(O)c1cc2ccccc2cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
CYP2C8 P10632 1/20 0.49
KIF11 P52732 1/20 0.47
GRIK1 P39086 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ACLY P53396 2/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EIF4E P06730 1/20 0.45
IDO1 P14902 1/20 0.45

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
SCHEMBL594177 0.83 IDO1 (0.57) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL29979724 0.81 APP (0.54) BACE1CYP2C8KIF11PSEN1PSEN2
SCHEMBL23354220 0.81 APP (0.54) BACE1CYP2C8KIF11PSEN1PSEN2
Xenalipin SCHEMBL29881739 0.80 CYP2C8 (0.58) BACE1CYP2C8KIF11TP53POLB
Xenalipin SCHEMBL133087 0.80 CYP2C8 (0.58) BACE1CYP2C8KIF11TP53POLB
SCHEMBL23354157 0.80 KDM4E (0.59) BACE1CYP2C8ACLYPSEN1PSEN2
SCHEMBL6799953 0.79 RXRA (0.55) BACE1CYP2C8ACLYPSEN1PSEN2
SCHEMBL421844 0.79 ALDH1A1 (0.57) BACE1CYP2C8KIF11GRIK1ACLY
SCHEMBL343208 0.79 HSD17B10 (0.53) BACE1CYP2C8KIF11KDM4EALDH1A1
Xenalipin SCHEMBL3723586 0.79 CYP2C8 (0.56) BACE1CYP2C8KIF11TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION DBH, DDT, CYCS BACE1 4452/4885CYP2C8 77/4885KIF11 2377/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 BACE1 49/4885CYP2C8 710/4885KIF11 4647/4885

“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.