SCHEMBL4090880

SCHEMBL4090880

C#CCOc1cccc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
MAPK1 P28482 1/20 0.41
ABCB1 P08183 2/20 0.41
MAOB P27338 2/20 0.41
BCHE P06276 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PDE4B Q07343 1/20 0.39
MAOA P21397 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5685999 0.89 SMN1; SMN2 (0.59) SMN1; SMN2CA12CA2CA9CYP3A4
SCHEMBL7265106 0.84 TDP1 (0.40) SMN1; SMN2CA12CA2CA9CYP3A4
SCHEMBL27584259 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA2CA9CYP3A4
SCHEMBL29679041 0.82 CA12 (0.54) SMN1; SMN2CA12CA2CA9MAPT
SCHEMBL6811036 0.82 CA12 (0.54) SMN1; SMN2CA12CA2CA9MAPT
SCHEMBL3198497 0.82 CYP3A4 (0.49) SMN1; SMN2CYP3A4CYP2A6MAPTMAPK1
SCHEMBL16378462 0.81 IDO1 (0.43) SMN1; SMN2CA12CA2CA9CYP3A4
SCHEMBL2641374 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA2CA9MAPK1
SCHEMBL5722457 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA2CA9MAPK1
SCHEMBL17274855 0.81 SMN1; SMN2 (0.46) SMN1; SMN2CA12CA2CA9CYP3A4

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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 SMN1; SMN2 4801/4885CA12 1857/4885CA2 3658/4885

“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.