SCHEMBL875113

SCHEMBL875113

CO/C=C1/COCCC1Cc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CYP26A1 O43174 1/20 0.34
CYP24A1 Q07973 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 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
SCHEMBL875114 1.00 SMN1; SMN2 (0.38) SMN1; SMN2GLANPSR1POLBALDH1A1
SCHEMBL875193 1.00 SMN1; SMN2 (0.38) SMN1; SMN2GLANPSR1POLBALDH1A1
SCHEMBL874390 0.79 GLA (0.48) SMN1; SMN2GLANPSR1POLBCYP26A1
SCHEMBL9340622 0.71 SMN1; SMN2 (0.51) SMN1; SMN2GLANPSR1ALDH1A1GAA
SCHEMBL9566869 0.70 GLA (0.50) SMN1; SMN2GLANPSR1POLBMAPT
SCHEMBL874314 0.66 GLA (0.40) SMN1; SMN2GLANPSR1POLB
SCHEMBL622656 0.65 IDO1 (0.50) SMN1; SMN2CYP26A1
SCHEMBL3296090 0.65 GLA (0.46) SMN1; SMN2GLANPSR1ALDH1A1GAA
SCHEMBL27750427 0.65 POLB (0.47) SMN1; SMN2GLANPSR1POLBALDH1A1
SCHEMBL19050136 0.64 POLB (0.47) GLANPSR1POLBCYP26A1CYP24A1

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 SMN1; SMN2 54/4885GLA 122/4885NPSR1 1591/4885

“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.