SCHEMBL2114760

SCHEMBL2114760

CCOC(=O)n1cc(C)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CREBBP Q92793 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
TFPI2 P48307 1/20 0.46
LMNA P02545 2/20 0.45
ELANE P08246 2/20 0.44
BCHE P06276 1/20 0.44
POLB P06746 2/20 0.44
NTRK1 P04629 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL8089259 0.91 L3MBTL1 (0.47) L3MBTL1KDM4EMEN1KMT2ACREBBP
SCHEMBL8083502 0.88 BCHE (0.49) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL8530899 0.86 KDM1A (0.48) L3MBTL1MEN1KMT2AALDH1A1TFPI2
SCHEMBL8083508 0.86 P2RX4 (0.46) L3MBTL1KDM4EMEN1KMT2ACREBBP
SCHEMBL6283431 0.85 L3MBTL1 (0.53) L3MBTL1KDM4EMEN1KMT2ACREBBP
SCHEMBL8076273 0.85 KMT2A (0.67) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2544694 0.84 L3MBTL1 (0.52) L3MBTL1KDM4EMEN1KMT2ACREBBP
SCHEMBL2457012 0.83 KMT2A (0.64) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL15902156 0.83 ALDH1A1 (0.67) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9164757 0.81 L3MBTL1 (0.60) L3MBTL1KDM4EMEN1KMT2ACREBBP

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
EP-1486207-A2 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. (JP) 2004-12-15 EP claimed
US-20030225043-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. 2003-12-04 US claimed
US-20030139379-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. 2003-07-24 US claimed
EP-0950656-A1 SULFONATED AMINO ACID DERIVATIVES AND METALLOPROTEINASE INHIBITORS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1999-10-20 EP claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP 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 (4 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-20030139379-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same MMP9, MMP2, MMP1 L3MBTL1 4563/4885KDM4E 1991/4885MEN1 1773/4885
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B L3MBTL1 4469/4885KDM4E 2005/4885MEN1 3403/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B L3MBTL1 4469/4885KDM4E 2005/4885MEN1 3403/4885
US-20030225043-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same MMP9, MMP2, MMP1 L3MBTL1 4563/4885KDM4E 1991/4885MEN1 1773/4885

“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.