SCHEMBL24915690

SCHEMBL24915690

COc1cc(C2CCOCC2)c2nc(C)cc(C(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.38
PDE10A Q9Y233 5/20 0.36
PDE6D O43924 3/20 0.36
PDE6A P16499 3/20 0.36
PDE6G P18545 3/20 0.36
PDE6B P35913 3/20 0.36
PDE6C P51160 3/20 0.36
PDE6H Q13956 3/20 0.36
PDE5A O76074 1/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
F2RL3 Q96RI0 2/20 0.34
NPY1R P25929 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 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
SCHEMBL24916405 0.76 HPGD (0.43) PDE10A
SCHEMBL24915974 0.74 KMT2A (0.40) PDE10A
SCHEMBL24915688 0.71 MAPK14 (0.36) PDE10AF2RL3
SCHEMBL28716824 0.70 TSHR (0.50)
SCHEMBL29560183 0.70 TSHR (0.50)
SCHEMBL24916057 0.70 HTR1A (0.43)
SCHEMBL24916052 0.69 P2RX3 (0.37) NPY1R
SCHEMBL24916058 0.69 KDM4E (0.50)
SCHEMBL24915923 0.68 CD38 (0.45)
SCHEMBL24916054 0.68 HTR1B (0.41)

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PDE2A 4070/4885PDE10A 3835/4885PDE6D 4318/4885

“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.