SCHEMBL4494081

SCHEMBL4494081

CCc1c(-c2cccc(C)c2)[nH]c(C=O)c1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
MAPT P10636 2/20 0.47
STAT1 P42224 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.42
MMP2 P08253 4/20 0.41
MMP12 P39900 4/20 0.41
MMP9 P14780 3/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL4494571 0.90 RAB9A (0.50) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL4486128 0.89 KMT2A (0.52) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL4485386 0.88 MMP1 (0.43) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL4484660 0.86 RAB9A (0.41) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL4485120 0.85 RAB9A (0.53) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL4477469 0.85 PDE1C (0.47) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL4485662 0.83 GCGR (0.48) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL4490038 0.82 NPC1 (0.49) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL4502843 0.82 RAB9A (0.49) RAB9AMAPTSTAT1NPSR1POLB
SCHEMBL4492335 0.81 RAB9A (0.43) RAB9AMAPTSTAT1NPSR1POLB

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 RAB9A 2642/4885MAPT 2055/4885STAT1 299/4885

“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.