SCHEMBL4199341

SCHEMBL4199341

CCOC(=O)c1[nH]c(C=O)c(C)c1CC

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
POLB P06746 2/20 0.65
KMT2A Q03164 1/20 0.65
IGF1R P08069 1/20 0.60
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 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
SCHEMBL4193955 0.89 ALDH1A1 (0.62) ALDH1A1POLBKMT2AIGF1RCYP1A2
SCHEMBL27942077 0.88 ALDH1A1 (0.76) ALDH1A1POLBKMT2AIGF1RCYP1A2
SCHEMBL12529449 0.87 ALDH1A1 (0.69) ALDH1A1POLBKMT2AIGF1RCYP1A2
SCHEMBL7253205 0.86 IGF1R (0.80) ALDH1A1POLBKMT2AIGF1RCYP1A2
SCHEMBL13865136 0.83 IGF1R (0.71) ALDH1A1POLBKMT2AIGF1RCYP1A2
SCHEMBL7239742 0.80 IGF1R (0.53) ALDH1A1POLBKMT2AIGF1RCYP1A2
SCHEMBL4205954 0.80 CYP1A2 (0.76) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL9423348 0.80 CYP1A2 (0.59) ALDH1A1POLBKMT2AIGF1RCYP1A2
SCHEMBL5621143 0.79 ALDH1A1 (1.00) ALDH1A1POLBKMT2AIGF1RCYP1A2
SCHEMBL11647620 0.78 CYP1A2 (0.58) ALDH1A1POLBKMT2AIGF1RCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651209-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2009-03-04 EP claimed
JP-2006528631-A 2006-12-21 JP claimed
US-20060276514-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2006-12-07 US claimed
EP-1651209-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP claimed
WO-2005009373-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 WO claimed
US-7538231-B2 Tyrosine kinase inhibitors MERCK & CO, INC. (US) 2009-05-26 US disclosed
US-7538231-B2 Tyrosine kinase inhibitors MERCK & CO, INC. (US) 2009-05-26 US disclosed
US-7538231-B2 Tyrosine kinase inhibitors MERCK & CO, INC. (US) 2009-05-26 US disclosed
EP-1651209-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2009-03-04 EP disclosed
US-20060276514-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2006-12-07 US disclosed
EP-1651209-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP disclosed
WO-2005009373-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 WO 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-20060276514-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 ALDH1A1 2755/4885POLB 4170/4885KMT2A 1302/4885

“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.