SCHEMBL17201434

SCHEMBL17201434

COc1cccc(OCc2ccc(-c3ccon3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.57
APP P05067 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
ADAMTS4 O75173 1/20 0.43
DGAT2 Q96PD7 1/20 0.42

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
SCHEMBL17201420 0.86 CYP1A2 (0.60) MAOBAPPNPC1RAB9ACYP1A2
SCHEMBL15774380 0.84 RXRA (0.51) MAOBRAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL17201428 0.78 APP (0.54) APPNPC1RAB9ACYP1A2CYP2D6
SCHEMBL2092692 0.78 NPC1 (0.69) NPC1RAB9ACYP19A1TDP1MAPT
SCHEMBL29840741 0.78 NPC1 (0.69) NPC1RAB9ACYP19A1TDP1MAPT
SCHEMBL15774879 0.78 CYP1A2 (0.49) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL15774704 0.76 MAOB (0.52) MAOBAPPNPC1RAB9ATDP1
SCHEMBL15774756 0.75 CYP1A2 (0.56) MAOBAPPRAB9ACYP1A2CYP2D6
SCHEMBL17201436 0.75 CYP1A2 (0.56) APPNPC1RAB9ACYP1A2CYP2D6
SCHEMBL17644086 0.75 NPC1 (0.72) NPC1RAB9ACYP1A2CYP2D6CYP19A1

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-9296711-B2 Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) HOFFMAN-LA ROCHE INC. (US) 2016-03-29 US disclosed
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) HOFFMANN-LA ROCHE INC. 2015-10-29 US 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-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) SCD, SCD5, CPT1A MAOB 3277/4885APP 2356/4885NPC1 317/4885

“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.