SCHEMBL12870533

SCHEMBL12870533

CC(C)Cc1ccc2c(c1)CCN(CC(C)C)C2=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.48
▸ WDR77 Q9BQA1 2/20 0.48
▸ ITGB3 P05106 3/20 0.42
▸ ITGA2B P08514 3/20 0.42
▸ GRM5 P41594 4/20 0.41
▸ HRH3 Q9Y5N1 8/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL12870532 0.86 PRMT5 (0.45) PRMT5WDR77ITGB3ITGA2BGRM5
SCHEMBL24253347 0.83 GRM5 (0.50) PRMT5WDR77GRM5
SCHEMBL30162812 0.82 PRMT5 (0.53) PRMT5WDR77GRM5HRH3KCNH2
SCHEMBL24934195 0.82 PRMT5 (0.53) PRMT5WDR77GRM5HRH3KCNH2
SCHEMBL17660286 0.80 HRH3 (0.43) PRMT5WDR77GRM5HRH3KCNH2
SCHEMBL13622582 0.78 PER2 (0.51) PRMT5WDR77
SCHEMBL26711841 0.77 PRMT5 (0.43) PRMT5WDR77ITGB3ITGA2BGRM5
SCHEMBL29218274 0.74 GRM5 (0.39) PRMT5WDR77GRM5HRH3KCNH2
SCHEMBL30162918 0.74 GRM5 (0.39) PRMT5WDR77GRM5HRH3KCNH2
SCHEMBL12870511 0.73 PRMT5 (0.38) PRMT5WDR77ITGB3ITGA2B

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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 — — US disclosed

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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 PRMT5 1781/4885WDR77 771/4885ITGB3 3127/4885

“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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