SCHEMBL25826714

SCHEMBL25826714

Cc1cc(OC(C)C)c2cc(N3CCCC3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TERT O14746 2/20 0.41
IP6K1 Q92551 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
NR4A1 P22736 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL25826713 0.97 NCF1 (0.41) NCF1ALDH1A1KDM4EMEN1MAPT
SCHEMBL25826715 0.89 MAPT (0.52) NCF1ALDH1A1KDM4EMEN1MAPT
SCHEMBL25824152 0.85 ALDH1A1 (0.54) NCF1ALDH1A1KDM4EMEN1MAPT
SCHEMBL23999691 0.84 IP6K1 (0.46) NCF1ALDH1A1KDM4EMEN1MAPT
SCHEMBL24009992 0.82 ALDH1A1 (0.50) NCF1ALDH1A1KDM4EMEN1MAPT
SCHEMBL24003938 0.81 IP6K1 (0.43) NCF1ALDH1A1KDM4EMEN1MAPT
SCHEMBL25826717 0.80 IP6K1 (0.48) ALDH1A1MEN1KMT2ATERTIP6K1
SCHEMBL25826718 0.77 IP6K1 (0.45) ALDH1A1MEN1KMT2AIP6K1GAA
SCHEMBL23999574 0.77 TERT (0.50) NCF1ALDH1A1KDM4EMEN1MAPT
SCHEMBL25820170 0.76 NCF1 (0.44) NCF1ALDH1A1KDM4EMEN1MAPT

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 NCF1 1223/4885ALDH1A1 4541/4885KDM4E 4095/4885

“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.