SCHEMBL25846276

SCHEMBL25846276

CCC(C)Oc1ccnc2ccc(C(C)=O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
IDO1 P14902 3/20 0.39
CREBBP Q92793 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SYK P43405 1/20 0.37
RET P07949 1/20 0.37
DDR2 Q16832 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
TEC P42680 1/20 0.37
TXK P42681 1/20 0.37
BLK P51451 1/20 0.37
BMX P51813 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL25830778 0.90 KDM5A (0.44) IDO1IRAK4CYP3A4TSHRRET
SCHEMBL26317945 0.81 SLC2A1 (0.51) SLC2A1ALDH1A1DDR2RXFP1
SCHEMBL25846078 0.77 ROCK2 (0.50) CYP3A4DDR2
SCHEMBL25830987 0.77 GAK (0.46) IDO1ALDH1A1RETSLC6A9
SCHEMBL25830886 0.75 GAK (0.46) IDO1
SCHEMBL25827570 0.75 LOXL2 (0.42)
SCHEMBL25820139 0.73 SLC2A1 (0.47) SLC2A1ALDH1A1HIF1ARETRXFP1
SCHEMBL10767951 0.72 HDAC1 (0.53) ALDH1A1CYP3A4TSHR
SCHEMBL4853499 0.71 SLC2A1 (0.42) SLC2A1IDO1ALDH1A1DDR2
SCHEMBL11159299 0.70 SMYD3 (0.54) SLC2A1CREBBPALDH1A1ERBB2

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA SLC2A1 799/4885IDO1 3091/4885CREBBP 281/4885

“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.