SCHEMBL26317020

SCHEMBL26317020

COc1c(C)cnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDPK1 O15530 1/20 0.45
GPR3 P46089 1/20 0.44
GAK O14976 1/20 0.41
RIPK2 O43353 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
WDR5 P61964 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL29612165 0.81 POLB (0.57) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL18436063 0.79 MEN1 (0.43) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL31651581 0.79 POLB (0.55) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL2879864 0.79 POLB (0.55) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL17685059 0.77 POLB (0.52) POLBKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL29661797 0.75 CCR1 (0.52) KDM4EGPR3HRH3CYP1A2
SCHEMBL3156746 0.75 CCR1 (0.52) KDM4EGPR3HRH3CYP1A2
SCHEMBL20178365 0.75 LRRK2 (0.54) POLBPDPK1GAK
SCHEMBL10337231 0.74 POLB (0.53) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL28817987 0.74 POLB (0.49) POLBKDM4EALDH1A1MAPK1SMN1; SMN2

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR POLB 2552/4885KDM4E 3961/4885ALDH1A1 4544/4885

“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.