SCHEMBL4490743

SCHEMBL4490743

CCc1c(-c2ccc(F)cc2)[nH]c(C=O)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
CNR2 P34972 1/20 0.42
NPC1 O15118 1/20 0.41
GCGR P47871 2/20 0.40
IGF1R P08069 1/20 0.39
LMNA P02545 1/20 0.39
MAPK13 O15264 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL4488479 0.89 ALDH1A1 (0.44) ALDH1A1RAB9AIGF1RPOLBMAPT
SCHEMBL4491006 0.87 ALDH1A1 (0.56) ALDH1A1RAB9AIGF1RLMNAMAPT
SCHEMBL4488868 0.85 IGF1R (0.43) ALDH1A1RAB9ANPC1IGF1RLMNA
SCHEMBL4495505 0.85 ALDH1A1 (0.42) ALDH1A1RAB9AGCGRIGF1RLMNA
SCHEMBL4481686 0.83 ALPL (0.43) ALDH1A1RAB9ACNR2NPC1IGF1R
SCHEMBL4491743 0.83 MEN1 (0.54) ALDH1A1RAB9ASLC6A3POLBMAPT
SCHEMBL4495792 0.80 ERN1 (0.47) ALDH1A1RAB9APOLBKMT2AMEN1
SCHEMBL4492954 0.78 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1IGF1RLMNA
SCHEMBL4488650 0.76 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1IGF1RLMNA
SCHEMBL13933342 0.76 RAB9A (0.43) ALDH1A1RAB9ANPC1IGF1RLMNA

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 ALDH1A1 2755/4885RAB9A 2642/4885CNR2 724/4885

“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.