SCHEMBL3493518

SCHEMBL3493518

COC(=O)c1ccc2occ(-c3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.57
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
NQO2 P16083 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
MAOB P27338 1/20 0.42
ABL1 P00519 4/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
RAB9A P51151 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
ADORA3 P0DMS8 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
SCHEMBL3492965 0.88 GSK3B (0.62) GSK3BNPC1POLBNQO2HDAC6
SCHEMBL3493911 0.87 GSK3B (0.49) GSK3BNPC1POLBNQO2MRGPRX4
SCHEMBL3491316 0.86 HDAC6 (0.47) GSK3BNPC1POLBHDAC3HDAC1
SCHEMBL12365259 0.82 GSK3B (0.61) GSK3BNPC1POLBNQO2MTNR1A
SCHEMBL3491084 0.81 GSK3B (0.60) GSK3BNPC1POLBNQO2MAOB
SCHEMBL3492564 0.79 GSK3B (0.57) GSK3BNPC1POLBNQO2MTNR1A
SCHEMBL14930553 0.76 CA1 (0.58) NPC1MRGPRX4HDAC3HDAC1HDAC2
SCHEMBL14852229 0.75 GSK3B (0.53) GSK3BNPC1POLBNQO2HDAC3
SCHEMBL3490849 0.75 CA1 (0.55) GSK3BNPC1POLBHDAC6MAOB
SCHEMBL3493569 0.74 FFAR1 (0.44) GSK3BNPC1POLBHDAC1HDAC6

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP GSK3B 1/4885NPC1 1571/4885POLB 2392/4885

“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.