SCHEMBL25826712

SCHEMBL25826712

Cc1cc(OC(C)C)c2cc(N(C)C)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 2/20 0.40
APAF1 O14727 1/20 0.40
TERT O14746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NQO2 P16083 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
PSMB5 P28074 1/20 0.38
TLR8 Q9NR97 1/20 0.37
ELANE P08246 1/20 0.36
IP6K1 Q92551 1/20 0.36

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
SCHEMBL25831210 0.85 PDE3B (0.42) PDE3BPDE3AALDH1A1GAAMAPT
SCHEMBL24003870 0.83 DOT1L (0.50) PDE3BPDE3AALDH1A1GAAMAPT
SCHEMBL24003934 0.82 PDE3B (0.47) PDE3BPDE3AALDH1A1GAAMAPT
SCHEMBL25826719 0.78 DOT1L (0.48) PDE3BPDE3AALDH1A1MAPK1APP
SCHEMBL12283481 0.76 NCF1 (0.56) GAAL3MBTL1TLR8NCF1
SCHEMBL23999412 0.74 TERT (0.55) PDE3BPDE3AALDH1A1GAAMAPT
SCHEMBL25820101 0.73 PDE3B (0.44) PDE3BPDE3AALDH1A1GAAMAPT
SCHEMBL25826714 0.72 NCF1 (0.44) ALDH1A1GAAMAPTMAPK1TDP1
SCHEMBL25826713 0.72 NCF1 (0.41) ALDH1A1MAPTMAPK1TERTKDM4E
SCHEMBL26552446 0.71 MAPT (0.41) ALDH1A1MAPTL3MBTL1APPAPAF1

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR PDE3B 479/4885PDE3A 350/4885ALDH1A1 4541/4885

“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.