SCHEMBL4131086

SCHEMBL4131086

CC(C)(C)CCn1ccc(O)c(C#N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 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
SCHEMBL171187 0.81 GRM2 (0.54) GRM2KDM4EALDH1A1MAPK1
SCHEMBL4129495 0.80 LMNA (0.60) GRM2KDM4EALDH1A1MAPK1
SCHEMBL169741 0.79 GRM2 (0.64) GRM2
SCHEMBL1827879 0.78 GRM2 (0.59) GRM2
SCHEMBL4140192 0.75 SCN9A (0.33) GRM2KDM4EALDH1A1
SCHEMBL4143914 0.74 GRM2 (0.31) GRM2KDM4EALDH1A1MAPK1
SCHEMBL259368 0.74 MAPT (0.59) GRM2KDM4EALDH1A1MAPK1
SCHEMBL16019365 0.73 PGR (0.37) GRM2KDM4EALDH1A1MAPK1
SCHEMBL171733 0.72 GRM2 (0.46) GRM2KDM4EALDH1A1MAPK1
SCHEMBL4062856 0.72 ALDH1A1 (0.48) GRM2KDM4EALDH1A1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 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-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II POLR2E, POLR2H, POLR2A GRM2 3863/4885KDM4E 3676/4885ALDH1A1 1531/4885

“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.