SCHEMBL4526809

SCHEMBL4526809

CCCc1c(OC(C)C)ccc2cc(C(=O)Nc3ccc(CN)cc3OC(F)(F)F)c(=O)oc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.51
CNR2 P34972 7/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3880616 0.91 S1PR1 (0.62) S1PR1CNR2TP53MAPTMAOB
SCHEMBL4522352 0.91 S1PR1 (0.53) S1PR1CNR2TP53MAPTALDH1A1
SCHEMBL4522168 0.86 CNR2 (0.47) S1PR1CNR2TP53MAPTMAOB
SCHEMBL3881597 0.85 S1PR1 (0.54) S1PR1CNR2TP53MAPTMAOB
SCHEMBL4522443 0.85 S1PR1 (0.53) S1PR1CNR2TP53MAPTMAOB
SCHEMBL4509065 0.83 S1PR1 (0.68) S1PR1CNR2TP53MAPTMAOB
SCHEMBL4522766 0.83 S1PR1 (0.61) S1PR1CNR2TP53MAPTMAOB
SCHEMBL3881577 0.82 S1PR1 (0.60) S1PR1CNR2TP53MAPTMAOB
SCHEMBL3880113 0.81 S1PR1 (0.62) S1PR1CNR2TP53MAPTMAOB
SCHEMBL3888378 0.80 S1PR1 (0.53) S1PR1CNR2MAPTALDH1A1GLA

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 538/4885KCNK3 2730/4885

“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.