SCHEMBL8516005

SCHEMBL8516005

COC=C1COCCC1(C)Cc1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
PDE2A O00408 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33

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
SCHEMBL8515475 0.80 GLA (0.40) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL8515869 0.68 GLA (0.37) SMN1; SMN2MAPK1ALDH1A1MAPTMEN1
SCHEMBL4450540 0.66 SMN1; SMN2 (0.45) SMN1; SMN2MAPK1ALDH1A1MAPTGAA
SCHEMBL4629625 0.65 IDO1 (0.47) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL31304899 0.64 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1ALDH1A1HTTMEN1
SCHEMBL875113 0.64 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL875114 0.64 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL875193 0.64 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL31304814 0.62 TSHR (0.47) ALDH1A1GAAHPGDTSHR
SCHEMBL29002710 0.62 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTGAAHPGD

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-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 SMN1; SMN2 54/4885MAPK1 2313/4885ALDH1A1 2346/4885

“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.