SCHEMBL4521324

SCHEMBL4521324

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.54
▸ MAPT P10636 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ KLKB1 P03952 1/20 0.50
▸ PPARG P37231 1/20 0.48
▸ NCOA2 Q15596 1/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAOA P21397 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ PLG P00747 2/20 0.44
▸ KLK1 P06870 2/20 0.44
▸ KLK6 Q92876 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL3887100 0.94 S1PR1 (0.54) S1PR1MAPTTP53KLKB1MAOA
SCHEMBL3946805 0.92 S1PR1 (0.52) S1PR1MAPTTP53KLKB1MAOA
SCHEMBL3880659 0.91 S1PR1 (0.65) S1PR1MAPTTP53KLKB1MAOA
SCHEMBL4523895 0.91 S1PR1 (0.51) S1PR1MAPTTP53KLKB1MAOA
SCHEMBL4533127 0.90 S1PR1 (0.51) S1PR1MAPTTP53KLKB1MAOA
SCHEMBL3882983 0.90 S1PR1 (0.54) S1PR1MAPTTP53PPARGNCOA2
SCHEMBL3881597 0.90 S1PR1 (0.54) S1PR1MAPTTP53MAOAMAOB
SCHEMBL4506901 0.89 S1PR1 (0.50) S1PR1MAPTTP53KLKB1MAOA
SCHEMBL3878880 0.89 S1PR1 (0.53) S1PR1MAPTTP53PPARGNCOA2
SCHEMBL4511112 0.89 S1PR1 (0.49) S1PR1MAPTTP53KLKB1MAOA

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.

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