SCHEMBL4209383

SCHEMBL4209383

CCOC(=O)CCCOc1cccc(CC(=O)OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.54
▸ CYSLTR1 Q9Y271 2/20 0.54
▸ MMP13 P45452 1/20 0.52
▸ FAAH O00519 1/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LTA4H P09960 6/20 0.50
▸ PLA2G2A P14555 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PPARG P37231 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ LTB4R Q15722 1/20 0.47
▸ LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL1008116 0.86 LTB4R (0.61) L3MBTL1MAPK1ALDH1A1KDM4ETSHR
SCHEMBL27855936 0.84 L3MBTL1 (0.53) CYSLTR2CYSLTR1MMP13FAAHL3MBTL1
SCHEMBL2137203 0.83 MAPK1 (0.66) CYSLTR2CYSLTR1MMP13FAAHL3MBTL1
SCHEMBL1171676 0.83 CYSLTR2 (0.62) CYSLTR2CYSLTR1FAAHL3MBTL1MAPK1
SCHEMBL19889912 0.83 ALDH1A1 (0.54) FAAHL3MBTL1MAPK1ALDH1A1LTA4H
SCHEMBL24405135 0.83 MAOB (0.60) CYSLTR2CYSLTR1L3MBTL1MAPK1ALDH1A1
SCHEMBL27855922 0.83 L3MBTL1 (0.55) CYSLTR2CYSLTR1MMP13L3MBTL1MAPK1
SCHEMBL13140901 0.82 CYSLTR2 (0.55) CYSLTR2CYSLTR1MMP13FAAHL3MBTL1
SCHEMBL7041814 0.82 L3MBTL1 (0.54) CYSLTR2CYSLTR1L3MBTL1MAPK1ALDH1A1
SCHEMBL1137350 0.82 ALDH1A1 (0.67) L3MBTL1MAPK1ALDH1A1KDM4ETSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563741-B2 CDK inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-10-22 — — US disclosed
US-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-09 — — US disclosed
WO-2009036016-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 — — 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-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CDK3, CDKL1, CDKL3 CYSLTR2 4517/4885CYSLTR1 4419/4885MMP13 1739/4885

“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.

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