SCHEMBL4518112

SCHEMBL4518112

CCOc1c(OC)ccc2cc(C(=O)Nc3ccc(CNCCO)cc3C)c(=O)oc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.51
CNR2 P34972 9/20 0.49
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOA3 Q9Y6Q9 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
SCHEMBL3879470 0.89 S1PR1 (0.49) S1PR1CNR2MAOAMAOBRXFP1
SCHEMBL3888689 0.88 S1PR1 (0.59) S1PR1CNR2ALDH1A1GLAMAOA
SCHEMBL3879645 0.88 CNR2 (0.52) CNR2MAOAMAOBRXFP1TP53
SCHEMBL3946711 0.85 S1PR1 (0.50) S1PR1CNR2ALDH1A1GLAMAOA
SCHEMBL14322622 0.81 S1PR1 (0.75) S1PR1CNR2MAOB
SCHEMBL3879592 0.81 TP53 (0.55) CNR2MAOAMAOBRXFP1TP53
SCHEMBL3886775 0.78 TP53 (0.52) CNR2MAOAMAOBRXFP1TP53
SCHEMBL3947207 0.77 CNR2 (0.49) S1PR1CNR2MAOAMAOBRXFP1
SCHEMBL4522127 0.77 CNR2 (0.49) S1PR1CNR2MAOAMAOBRXFP1
SCHEMBL3947213 0.77 CNR2 (0.49) S1PR1CNR2MAOAMAOBRXFP1

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 3084/4885CNR2 538/4885ALDH1A1 330/4885

“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.