SCHEMBL8515475

SCHEMBL8515475

COc1ccc(CC2(C)CCOCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
HTT P42858 1/20 0.38
FKBP1A P62942 1/20 0.37
CMA1 P23946 1/20 0.37
PDE2A O00408 1/20 0.37
NR3C1 P04150 1/20 0.37
LTA4H P09960 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 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
SCHEMBL8516005 0.80 SMN1; SMN2 (0.38) GLANPSR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4450540 0.68 SMN1; SMN2 (0.45) GLANPSR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8515869 0.68 GLA (0.37) GLANPSR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4629625 0.68 IDO1 (0.47) SMN1; SMN2ALDH1A1LTA4H
SCHEMBL8515481 0.67 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPTHTTFKBP1A
SCHEMBL31304899 0.67 SMN1; SMN2 (0.41) GLANPSR1SMN1; SMN2ALDH1A1HTT
SCHEMBL31304814 0.65 TSHR (0.47) ALDH1A1GAAHPGDLTA4H
SCHEMBL29002710 0.65 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL15759290 0.65 LTA4H (0.46) SMN1; SMN2ALDH1A1HTTLTA4H
SCHEMBL9882477 0.65 CYP2D6 (0.40) GLANPSR1SMN1; SMN2ALDH1A1MAPT

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 4 patents. 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
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 GLA 122/4885NPSR1 1591/4885SMN1; SMN2 54/4885

“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.