SCHEMBL4517802

SCHEMBL4517802

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.51
MAOB P27338 5/20 0.43
MAOA P21397 4/20 0.43
F12 P00748 5/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4513642 0.90 S1PR1 (0.48) S1PR1MAOBMAOAF12MAPT
SCHEMBL3885669 0.87 S1PR1 (0.64) S1PR1MAOBMAOAMAPTTP53
SCHEMBL3997597 0.87 S1PR1 (0.46) S1PR1MAOBMAOAF12MAPT
SCHEMBL4510541 0.87 S1PR1 (0.51) S1PR1MAOBMAOAF12MAPT
SCHEMBL4534562 0.87 S1PR1 (0.54) S1PR1MAOBMAOAMAPTTP53
SCHEMBL3947945 0.86 S1PR1 (0.53) S1PR1MAOBMAOAF12MAPT
SCHEMBL4520770 0.84 MAOA (0.46) MAOBMAOAF12MAPTTP53
SCHEMBL4518093 0.84 S1PR1 (0.58) S1PR1MAOBMAOAMAPTTP53
SCHEMBL3947827 0.84 S1PR1 (0.51) S1PR1MAOBMAOAMAPTTP53
SCHEMBL3879717 0.84 S1PR1 (0.51) S1PR1MAOBMAOAF12MAPT

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 3084/4885MAOB 1375/4885MAOA 1782/4885

“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.