SCHEMBL4497391

SCHEMBL4497391

C=C(CCCO)c1[nH]c(C=O)c(C(=O)OC)c1CC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.46
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4498827 0.89 IGF1R (0.46) IGF1RALDH1A1POLBKMT2ALMNA
SCHEMBL4493837 0.89 IGF1R (0.46) IGF1RALDH1A1POLBKMT2ALMNA
SCHEMBL4498917 0.79 IGF1R (0.54) IGF1RALDH1A1POLBKMT2ALMNA
SCHEMBL13933180 0.77 IGF1R (0.41) IGF1RALDH1A1POLBKMT2ALMNA
SCHEMBL4494376 0.74 IGF1R (0.79) IGF1RALDH1A1POLBKMT2ALMNA
SCHEMBL4497334 0.72 IGF1R (0.38) IGF1RALDH1A1POLBKMT2ALMNA
SCHEMBL4480909 0.72 IGF1R (0.46) IGF1RALDH1A1POLBKMT2ALMNA
SCHEMBL13933186 0.71 IGF1R (0.51) IGF1RALDH1A1POLBKMT2ALMNA
SCHEMBL4487343 0.70 IGF1R (0.42) IGF1RALDH1A1POLBKMT2ALMNA
SCHEMBL4497398 0.70 ALDH1A1 (0.33) ALDH1A1POLBKMT2A

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 2755/4885POLB 4170/4885

“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.