SCHEMBL7203894

SCHEMBL7203894

COc1cc(OC)cc(C(C(=O)O)c2cncc3cc(OC)c(OC(C)C)cc23)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.36
PDE10A Q9Y233 8/20 0.35
PDE4A P27815 1/20 0.34
PDE4D Q08499 1/20 0.34
PIM3 Q86V86 1/20 0.33
SOS1 Q07889 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
GFPT1 Q06210 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL4812337 0.76 PTGS2 (0.42) PDE5APDE10ASOS1PTGS2PTGS1
SCHEMBL4811242 0.71 PDE10A (0.45) PDE5APDE10AAKR1C3AKR1C2TSHR
SCHEMBL4813656 0.71 PDE10A (0.45) PDE5APDE10AAKR1C3AKR1C2TSHR
Lithium SCHEMBL4813676 0.69 PDE10A (0.45) PDE5APDE10AAKR1C3AKR1C2TSHR
Lithium SCHEMBL4811254 0.69 PDE10A (0.45) PDE5APDE10AAKR1C3AKR1C2TSHR
SCHEMBL5745712 0.66 GFPT1 (0.45) PIM3SOS1GFPT1TSHR
Lithium Ion SCHEMBL4811247 0.64 PDE10A (0.44) PDE5APDE10ATSHR
Lithium Ion SCHEMBL4813660 0.64 PDE10A (0.44) PDE5APDE10ATSHR
SCHEMBL29702221 0.63 LRRK2 (0.48) PDE5APDE10APDE4APDE4DPIM3
SCHEMBL6732044 0.63 PDE4A (0.41) PDE10APDE4APDE4DGFPT1

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-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 (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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR PDE5A 16/4885PDE10A 218/4885PDE4A 140/4885

“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.