SCHEMBL8515869

SCHEMBL8515869

COc1ccc(CC2(C)CCOCC2C=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPT P10636 1/20 0.35
FKBP1A P62942 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8515481 0.79 ALDH1A1 (0.40) SMN1; SMN2KMT2AALDH1A1MAPTFKBP1A
SCHEMBL9882477 0.77 CYP2D6 (0.40) GLANPSR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL8515475 0.68 GLA (0.40) GLANPSR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL8516005 0.68 SMN1; SMN2 (0.38) GLANPSR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL874314 0.67 GLA (0.40) GLANPSR1SMN1; SMN2FKBP1APDE1A
SCHEMBL29002709 0.66 GLA (0.44) GLANPSR1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL28125189 0.66 ALDH1A1 (0.39) GLANPSR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL27669794 0.66 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AALDH1A1TSHRMAPT
SCHEMBL3948980 0.66 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AALDH1A1TSHRMAPT
SCHEMBL4450540 0.65 SMN1; SMN2 (0.45) GLANPSR1SMN1; SMN2KMT2AALDH1A1

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.