SCHEMBL4510541

SCHEMBL4510541

CCCc1c(C)ccc2cc(C(=O)Nc3ccc(CN)cc3)c(=O)oc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.51
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.49
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
PLG P00747 5/20 0.47
KLK1 P06870 5/20 0.47
KLK6 Q92876 4/20 0.47
AR P10275 1/20 0.46
AKR1C3 P42330 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
PLEC Q15149 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
F12 P00748 2/20 0.44
KLKB1 P03952 1/20 0.43

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
SCHEMBL3882446 0.90 MAOA (0.51) S1PR1MAPTTP53MAOBMAOA
SCHEMBL3878298 0.87 PLG (0.47) S1PR1MAPTTP53MAOBMAOA
SCHEMBL3880659 0.87 S1PR1 (0.65) S1PR1MAPTTP53MAOBMAOA
SCHEMBL4517802 0.87 S1PR1 (0.51) S1PR1MAPTTP53MAOBMAOA
SCHEMBL4521324 0.86 S1PR1 (0.54) S1PR1MAPTTP53MAOBMAOA
SCHEMBL3881597 0.85 S1PR1 (0.54) S1PR1MAPTTP53MAOBMAOA
SCHEMBL3887100 0.85 S1PR1 (0.54) S1PR1MAPTTP53MAOBMAOA
SCHEMBL3879696 0.84 S1PR1 (0.49) S1PR1MAPTTP53MAOBMAOA
SCHEMBL3946805 0.84 S1PR1 (0.52) S1PR1MAPTTP53MAOBMAOA
SCHEMBL3882377 0.84 S1PR1 (0.59) S1PR1MAPTTP53MAOBMAOA

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 S1PR1 3084/4885MAPT 3872/4885TP53 487/4885

“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.