SCHEMBL6732044

SCHEMBL6732044

COc1cc(OC)cc(-c2ncc(CC(=O)O)c3cc(OC(C)C)c(OC)cc23)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
HSD17B10 Q99714 1/20 0.40
DPP4 P27487 3/20 0.39
GFPT1 Q06210 1/20 0.37
PDE10A Q9Y233 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ABL1 P00519 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
RIN1 Q13671 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
P2RX3 P56373 1/20 0.34
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33

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
SCHEMBL4811545 0.96 PDE4A (0.46) PDE4APDE4DHSD17B10DPP4GFPT1
SCHEMBL4813666 0.93 PDE4A (0.47) PDE4APDE4DHSD17B10DPP4GFPT1
SCHEMBL4811167 0.92 HSD17B10 (0.46) HSD17B10DPP4PDE10APTGDR2KDM4E
SCHEMBL4808734 0.83 DPP4 (0.42) HSD17B10DPP4GFPT1PDE10APTGDR2
SCHEMBL4809596 0.81 DPP4 (0.41) HSD17B10DPP4GFPT1PDE10APTGDR2
SCHEMBL4811967 0.79 DPP4 (0.63) DPP4PDE10AKDM4EMAPT
SCHEMBL4812496 0.76 DPP4 (0.46) HSD17B10DPP4GFPT1PDE10APTGDR2
SCHEMBL4803200 0.72 DPP4 (0.52) HSD17B10DPP4PDE10AHDAC6
SCHEMBL14859899 0.72 DPP4 (0.43) HSD17B10DPP4GFPT1PDE10A
SCHEMBL1366610 0.72 GFPT1 (0.67) GFPT1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2004-02-26 US disclosed
US-20030114469-A1 Combinations COHEN DAVID SAUL (US) 2003-06-19 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 (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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR PDE4A 140/4885PDE4D 356/4885HSD17B10 62/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A PDE4A 14/4885PDE4D 25/4885HSD17B10 444/4885

“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.