SCHEMBL4511096

SCHEMBL4511096

CC(C)(C)c1cc(C(C)(C)C)c2oc(=O)c(C(=O)Nc3ccc(CN)cc3OC(F)(F)F)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
PLG P00747 2/20 0.37
KLK1 P06870 2/20 0.37
KLK6 Q92876 2/20 0.37
KLKB1 P03952 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR1 P21453 3/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
AKR1C3 P42330 1/20 0.35
F12 P00748 3/20 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
SCHEMBL3879451 0.81 PLG (0.54) MAOBPLGKLK1KLK6KLKB1
SCHEMBL4522443 0.79 S1PR1 (0.53) MAOBNPC1RAB9ATP53MAPT
SCHEMBL3880616 0.77 S1PR1 (0.62) MAOBNPC1RAB9ATP53MAPT
SCHEMBL4522168 0.77 CNR2 (0.47) MAOBNPC1RAB9ATP53MAPT
SCHEMBL4522352 0.77 S1PR1 (0.53) MAOBNPC1RAB9APOLBTP53
SCHEMBL4526809 0.76 S1PR1 (0.51) MAOBNPC1RAB9APOLBTP53
SCHEMBL3883746 0.69 S1PR1 (0.58) MAOBNPC1RAB9ATP53MAPT
SCHEMBL27951959 0.69 ALDH1A1 (0.48) MAOBPOLBTP53MAPTLMNA
SCHEMBL4522766 0.68 S1PR1 (0.61) MAOBNPC1RAB9ATP53MAPT
SCHEMBL4509065 0.68 S1PR1 (0.68) MAOBNPC1RAB9ATP53MAPT

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-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US claimed

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-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 MAOB 1375/4885PLG 3868/4885KLK1 875/4885

“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.