SCHEMBL9258418

SCHEMBL9258418

COc1cccc(-c2ccccc2C(C)(C)C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL12203538 0.85 APP (0.48) GAACA12CA1CA2CA4
SCHEMBL8417921 0.83 SMN1; SMN2 (0.47) CA12CA1CA2CA4CA7
SCHEMBL31438691 0.83 SMN1; SMN2 (0.47) CA12CA1CA2CA4CA7
SCHEMBL16674078 0.82 CA1 (0.55) GAAMGAMSIMGAM2CA12
SCHEMBL196440 0.82 MGAM (0.55) GAAMGAMSIMGAM2CA12
SCHEMBL12737112 0.81 TOP1 (0.46) GAACA12CA1CA2CA4
SCHEMBL9254201 0.81 KDM4E (0.43) CA2SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL29771456 0.76 CA2 (0.57) GAACA12CA1CA2CA4
SCHEMBL142899 0.76 CA2 (0.57) GAACA12CA1CA2CA4
SCHEMBL22227385 0.76 GABRA1 (0.42) GAACA12CA1CA2CA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP GAA 1073/4885MGAM 78/4885SI 73/4885

“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.