SCHEMBL24345429

SCHEMBL24345429

COc1cc(C(C)C)cc2c1OCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PLK1 P53350 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
AKT1 P31749 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
POLB P06746 2/20 0.31
CYP2A6 P11509 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13085619 0.90 CYP2A6 (0.38) KDM4EALDH1A1LMNAHSD17B10PLK1
SCHEMBL23717267 0.82 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL13085629 0.79 PLK1 (0.44) KDM4EALDH1A1LMNAHSD17B10PLK1
SCHEMBL25317428 0.79 ACHE (0.39) CTNNB1WNT3APDE4APDE4BPDE4C
SCHEMBL13054412 0.79 GABRA1 (0.35)
SCHEMBL14268235 0.78 PARP1 (0.31)
SCHEMBL12407085 0.78 NOTUM (0.44)
SCHEMBL10747849 0.78 PLK1 (0.36) CTNNB1WNT3APDE4APDE4BPDE4C
SCHEMBL13096181 0.77 ALDH1A1 (0.37) ALDH1A1LMNAAKT1HTR2AHTR2C
SCHEMBL13085692 0.76 PLK1 (0.50) CTNNB1WNT3AKDM4EALDH1A1LMNA

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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN CTNNB1 4566/4885WNT3A 4612/4885PDE4A 875/4885

“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.