SCHEMBL874004

SCHEMBL874004

CC1(CCCO)CC(=O)c2cc(Br)ccc2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.60
CYP1A1 P04798 1/20 0.51
MAPT P10636 1/20 0.47
PBRM1 Q86U86 1/20 0.41
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 5/20 0.39
HPGD P15428 4/20 0.39
GLA P06280 4/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP7 P55210 1/20 0.39
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.37
ATM Q13315 2/20 0.37
RAD52 P43351 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
PTGS2 P35354 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
SCHEMBL8514081 0.92 AKT1 (0.56) AKT1CYP1A1MAPTPBRM1KDM4E
SCHEMBL10237816 0.85 AKT1 (0.54) AKT1CYP1A1MAPTPBRM1KDM4E
SCHEMBL2784350 0.84 AKT1 (0.72) AKT1CYP1A1MAPTKDM4EALDH1A1
SCHEMBL2784941 0.84 AKT1 (0.72) AKT1CYP1A1MAPTKDM4EALDH1A1
SCHEMBL2783197 0.84 AKT1 (0.72) AKT1CYP1A1MAPTKDM4EALDH1A1
SCHEMBL873832 0.79 AKT1 (0.49) AKT1CYP1A1MAPTPBRM1KDM4E
SCHEMBL8512880 0.78 AKT1 (0.47) AKT1CYP1A1MAPTPBRM1KDM4E
SCHEMBL8511469 0.76 AKT1 (0.46) AKT1CYP1A1MAPTPBRM1KDM4E
SCHEMBL1821389 0.76 MAPT (0.71) MAPTPBRM1KDM4EALDH1A1GAA
SCHEMBL15441431 0.75 AKT1 (1.00) AKT1CYP1A1MAPTKDM4EALDH1A1

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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 WO 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 AKT1 1528/4885CYP1A1 3366/4885MAPT 15/4885

“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.