SCHEMBL10237757

SCHEMBL10237757

Cc1ccc2c(c1)C(=O)CC(C)(CCCO[Si](C)(C)C(C)(C)C)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.47
KDM4E B2RXH2 7/20 0.45
ATM Q13315 3/20 0.45
RAD52 P43351 1/20 0.45
HTT P42858 1/20 0.44
CYP1A1 P04798 1/20 0.43
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 2/20 0.35
CASP7 P55210 1/20 0.35
DUT P33316 2/20 0.34
ACACB O00763 2/20 0.34
MAOB P27338 2/20 0.34
ACACA Q13085 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL873832 0.88 AKT1 (0.49) AKT1KDM4EATMRAD52HTT
SCHEMBL875050 0.87 AKT1 (0.46) AKT1KDM4EHTTCYP1A1MAPT
SCHEMBL8511469 0.81 AKT1 (0.46) AKT1KDM4EATMRAD52HTT
SCHEMBL10237755 0.75 ATM (0.33) KDM4EATMRAD52HTTDUT
SCHEMBL10237758 0.75 KDM4E (0.33) KDM4EATMRAD52DUT
SCHEMBL8870915 0.74 AKT1 (0.56) AKT1KDM4EATMRAD52CYP1A1
SCHEMBL1981849 0.74 AKT1 (0.42) AKT1KDM4EATMRAD52HTT
SCHEMBL17746840 0.69 CYP1A1 (0.47) AKT1CYP1A1ALDH1A1MAOB
SCHEMBL68892 0.68 MAPT (0.69) KDM4EATMRAD52HTTMAPT
SCHEMBL19030568 0.68 MAOB (0.44) AKT1KDM4EHTTCYP1A1MAPT

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 AKT1 1528/4885KDM4E 3940/4885ATM 3827/4885

“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.