SCHEMBL1534423

SCHEMBL1534423

CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4ccc(OC(F)(F)F)cc4c3=O)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.46
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C8 P10632 1/20 0.37
PTGFR P43088 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G4A P47712 1/20 0.36
LMNA P02545 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
SCHEMBL1534477 0.94 PDE2A (0.46) PDE2AAKT1AKT2SCN9AKDM4E
SCHEMBL1534610 0.91 ALDH1A1 (0.48) AKT1AKT2KDM4EALDH1A1HPGD
SCHEMBL1534320 0.89 CYP3A4 (0.42) PDE2AAKT1AKT2SCN9AKDM4E
SCHEMBL1534471 0.87 AKT1 (0.45) PDE2AAKT1AKT2KDM4EALDH1A1
SCHEMBL1534619 0.86 PLA2G2A (0.46) AKT1AKT2KDM4EALDH1A1HSD17B10
SCHEMBL1901791 0.86 PLA2G2A (0.46) AKT1AKT2KDM4EALDH1A1HSD17B10
SCHEMBL1534621 0.86 AKT1 (0.42) PDE2AAKT1AKT2SCN9AKDM4E
SCHEMBL1534384 0.85 AKT1 (0.40) PDE2AAKT1AKT2KDM4EALDH1A1
SCHEMBL1534668 0.84 ALDH1A1 (0.48) AKT1AKT2KDM4EALDH1A1HPGD
SCHEMBL1534850 0.84 AKT1 (0.42) PDE2AAKT1AKT2SCN9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 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 (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-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR PDE2A 1156/4885AKT1 6/4885AKT2 4/4885

“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.