SCHEMBL874314

SCHEMBL874314

COc1ccc(CC2CCOCC2C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
TLR9 Q9NR96 1/20 0.37
FKBP1A P62942 1/20 0.36
POLB P06746 1/20 0.36
SHBG P04278 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
SCHEMBL874467 0.78 CA1 (0.44) LTB4RLTB4R2FKBP1A
SCHEMBL9340622 0.72 SMN1; SMN2 (0.51) GLANPSR1SMN1; SMN2
SCHEMBL9341094 0.71 GLA (0.43) GLANPSR1SMN1; SMN2
SCHEMBL874390 0.69 GLA (0.48) GLANPSR1SMN1; SMN2TLR9POLB
SCHEMBL27669794 0.69 SMN1; SMN2 (0.55) SMN1; SMN2PDE1BFKBP1A
SCHEMBL3948980 0.69 SMN1; SMN2 (0.55) SMN1; SMN2PDE1BFKBP1A
SCHEMBL24128714 0.68 CHRM2 (0.45)
SCHEMBL16766174 0.67 SMN1; SMN2 (0.42) GLANPSR1SMN1; SMN2
SCHEMBL24881281 0.67 SMN1; SMN2 (0.42) GLANPSR1SMN1; SMN2
SCHEMBL16766175 0.67 SMN1; SMN2 (0.42) GLANPSR1SMN1; SMN2

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 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.