SCHEMBL4489556

SCHEMBL4489556

CCc1c(CCC(C)C)[nH]c(C=O)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.41
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL4491375 0.86 IGF1R (0.42) IGF1RALDH1A1LMNAKMT2APOLB
SCHEMBL4487343 0.84 IGF1R (0.42) IGF1RALDH1A1LMNAKMT2APOLB
SCHEMBL13933180 0.83 IGF1R (0.41) IGF1RALDH1A1LMNAKMT2APOLB
SCHEMBL13933296 0.82 IGF1R (0.41) IGF1RALDH1A1LMNAKMT2APOLB
SCHEMBL4477841 0.82 IGF1R (0.46) IGF1RALDH1A1LMNAKMT2APOLB
SCHEMBL13933181 0.81 IGF1R (0.47) IGF1RALDH1A1LMNAKMT2APOLB
SCHEMBL4487827 0.80 IGF1R (0.41) IGF1RALDH1A1LMNAKMT2APOLB
SCHEMBL13933179 0.78 IGF1R (0.42) IGF1RALDH1A1LMNAKMT2APOLB
SCHEMBL4492953 0.76 IGF1R (0.42) IGF1RALDH1A1LMNAKMT2APOLB
SCHEMBL4480909 0.75 IGF1R (0.46) IGF1RALDH1A1LMNAKMT2APOLB

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
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed
EP-1651599-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP claimed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US claimed
EP-1651599-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP claimed
WO-2005009957-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 WO claimed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1651599-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP disclosed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US disclosed
EP-1651599-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP disclosed
WO-2005009957-A1 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-20060189577-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 IGF1R 102/4885ALDH1A1 2755/4885LMNA 4871/4885

“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.