SCHEMBL4511085

SCHEMBL4511085

CCCc1c(O[C@@H](C)CC)ccc2cc(C(=O)Nc3ccc(CN4CCCC4)cc3)c(=O)oc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4515819 1.00 S1PR1 (0.48) S1PR1LMNAMAPTTP53CNR2
SCHEMBL4045766 0.94 SMN1; SMN2 (0.47) S1PR1LMNAMAPTTP53SMN1; SMN2
SCHEMBL4524856 0.92 S1PR1 (0.43) S1PR1LMNAMAPTTP53CNR2
SCHEMBL4520291 0.90 S1PR1 (0.44) S1PR1LMNAMAPTTP53CNR2
SCHEMBL3888340 0.90 S1PR1 (0.59) S1PR1LMNAMAPTTP53CNR2
SCHEMBL4515009 0.89 S1PR1 (0.59) S1PR1LMNAMAPTTP53CNR2
SCHEMBL3889085 0.89 S1PR1 (0.50) S1PR1LMNAMAPTTP53CNR2
SCHEMBL4041962 0.89 SMN1; SMN2 (0.51) S1PR1LMNAMAPTTP53SMN1; SMN2
SCHEMBL4530083 0.88 S1PR1 (0.51) S1PR1MAPTTP53CNR2KMT2A
SCHEMBL3881381 0.88 S1PR1 (0.51) S1PR1MAPTTP53CNR2KMT2A

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 3084/4885LMNA 4113/4885MAPT 3872/4885

“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.