SCHEMBL4491006

SCHEMBL4491006

CCc1c(-c2ccccc2)[nH]c(C=O)c1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.48
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.41
IGF1R P08069 1/20 0.41
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 0.88 ALDH1A1 (0.44) ALDH1A1RAB9AIGF1RMAPTTDP1
SCHEMBL4495505 0.87 ALDH1A1 (0.42) ALDH1A1RAB9ALMNAGAAIGF1R
SCHEMBL4490743 0.87 ALDH1A1 (0.42) ALDH1A1RAB9ALMNAGAAIGF1R
SCHEMBL4495792 0.87 ERN1 (0.47) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL4488868 0.85 IGF1R (0.43) ALDH1A1RAB9ALMNAGAAIGF1R
SCHEMBL4494571 0.85 RAB9A (0.50) ALDH1A1RAB9ALMNAGAAHPGD
SCHEMBL4491743 0.83 MEN1 (0.54) ALDH1A1RAB9AGAAHTTMAPT
SCHEMBL13933342 0.83 RAB9A (0.43) ALDH1A1RAB9ALMNAGAAHTT
SCHEMBL4492954 0.83 ALDH1A1 (0.43) ALDH1A1RAB9ALMNAGAAHPGD
SCHEMBL13933294 0.82 ALDH1A1 (0.43) ALDH1A1RAB9ALMNAIGF1RKDM4E

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 2642/4885LMNA 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.