SCHEMBL4531235

SCHEMBL4531235

CCCc1c(OCC)ccc2cc(C(=O)Nc3ccc(C4(N)CC4)cc3)c(=O)oc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.51
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 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
SCHEMBL3950175 0.93 PPARG (0.44) S1PR1PPARGNCOA2NCOA1NPSR1
SCHEMBL3892415 0.92 S1PR1 (0.61) S1PR1MAOAMAOBMAPTTP53
SCHEMBL3882910 0.92 S1PR1 (0.49) S1PR1MAOAMAOBMAPTTP53
SCHEMBL3879685 0.91 S1PR1 (0.48) S1PR1MAOAMAOBMAPTTP53
SCHEMBL4521305 0.89 S1PR1 (0.47) S1PR1MAOAMAOBMAPTTP53
SCHEMBL3883440 0.88 S1PR1 (0.49) S1PR1MAOAMAOBMAPTTP53
SCHEMBL3879696 0.87 S1PR1 (0.49) S1PR1MAOAMAOBMAPTTP53
SCHEMBL4521393 0.87 S1PR1 (0.55) S1PR1MAOAMAOBMAPTTP53
SCHEMBL4521324 0.85 S1PR1 (0.54) S1PR1PPARGNCOA2NCOA1NPSR1
SCHEMBL4523496 0.85 PPARG (0.59) PPARGNCOA2NCOA1NPSR1NCOA3

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 3084/4885PPARG 1035/4885NCOA2 218/4885

“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.