SCHEMBL4200301

SCHEMBL4200301

CCc1c(C(=O)OC(C)(C)C)[nH]c(C=O)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.58
ALDH1A1 P00352 7/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 3/20 0.35
STAT1 P42224 1/20 0.35
GRM6 O15303 1/20 0.35
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL4206559 0.89 IGF1R (0.60) IGF1RALDH1A1RAB9ALMNAPOLB
SCHEMBL4203371 0.88 IGF1R (0.56) IGF1RALDH1A1RAB9ALMNAPOLB
SCHEMBL4201253 0.88 IGF1R (0.56) IGF1RALDH1A1RAB9ALMNAMAPT
SCHEMBL4198303 0.88 IGF1R (0.56) IGF1RALDH1A1RAB9ALMNAPOLB
SCHEMBL4195862 0.87 IGF1R (0.55) IGF1RALDH1A1RAB9ALMNAPOLB
SCHEMBL4200186 0.87 IGF1R (0.52) IGF1RALDH1A1RAB9ALMNAHPGD
SCHEMBL4216016 0.86 IGF1R (0.54) IGF1RALDH1A1RAB9ALMNAPOLB
SCHEMBL4210843 0.86 IGF1R (0.51) IGF1RALDH1A1RAB9ALMNAMAPT
SCHEMBL4196034 0.85 IGF1R (0.53) IGF1RALDH1A1RAB9ALMNAGABRA1
SCHEMBL4207730 0.85 IGF1R (0.58) IGF1RALDH1A1RAB9ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538231-B2 Tyrosine kinase inhibitors MERCK & CO, INC. (US) 2009-05-26 US claimed
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 IGF1R 102/4885ALDH1A1 2755/4885RAB9A 2642/4885

“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.