SCHEMBL2601637

SCHEMBL2601637

CC=Cc1ccccc1OCC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.50
NFE2L2 Q16236 2/20 0.47
TFEB P19484 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
S1PR4 O95977 1/20 0.47
ITGA4 P13612 1/20 0.47
S1PR1 P21453 1/20 0.47
TLR9 Q9NR96 1/20 0.47
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.44

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
SCHEMBL2317111 1.00 KMT2A (0.53) KMT2AMEN1PTGDR2NFE2L2TFEB
SCHEMBL2342765 0.87 PTGDR2 (0.68) KMT2AMEN1PTGDR2SMN1; SMN2MAPT
SCHEMBL3312018 0.84 MEN1 (0.51) KMT2AMEN1PTGDR2NFE2L2TFEB
SCHEMBL23188916 0.84 MEN1 (0.51) KMT2AMEN1PTGDR2NFE2L2TFEB
SCHEMBL1287954 0.83 PTGDR2 (0.72) KMT2AMEN1PTGDR2SMN1; SMN2MAPT
SCHEMBL20165421 0.83 L3MBTL1 (0.55) KMT2AMEN1PTGDR2SMN1; SMN2MAPT
SCHEMBL20165417 0.83 L3MBTL1 (0.55) KMT2AMEN1PTGDR2SMN1; SMN2MAPT
SCHEMBL17863711 0.81 PTGDR2 (0.51) KMT2AMEN1PTGDR2NFE2L2TFEB
SCHEMBL16382639 0.80 MEN1 (0.48) KMT2AMEN1PTGDR2NFE2L2TFEB
SCHEMBL2955119 0.80 KMT2A (0.62) KMT2APTGDR2SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066443-B1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO KG (DE) 2017-04-05 EP disclosed
EP-2066443-B1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO KG (DE) 2017-04-05 EP disclosed
US-9562116-B2 Method for preparation of ruthenium-based metathesis catalysts with chelating alkylidene ligands UMICORE AG & CO. KG (DE) 2017-02-07 US disclosed
US-9562116-B2 Method for preparation of ruthenium-based metathesis catalysts with chelating alkylidene ligands UMICORE AG & CO. KG (DE) 2017-02-07 US disclosed
US-20140371462-A1 METHOD FOR PREPARATION OF RUTHENIUM-BASED METATHESIS CATALYSTS WITH CHELATING ALKYLIDENE LIGANDS UMICORE AG & CO KG (DE) 2014-12-18 US disclosed
US-20140371462-A1 METHOD FOR PREPARATION OF RUTHENIUM-BASED METATHESIS CATALYSTS WITH CHELATING ALKYLIDENE LIGANDS UMICORE AG & CO KG (DE) 2014-12-18 US disclosed
US-8846938-B2 Method for preparation of ruthenium-based metathesis catalysts with chelating alkylidene ligands UMICORE AG & CO. KG (DE) 2014-09-30 US disclosed
US-8846938-B2 Method for preparation of ruthenium-based metathesis catalysts with chelating alkylidene ligands UMICORE AG & CO. KG (DE) 2014-09-30 US disclosed
EP-2255877-B1 Method for preparation of ruthenium-based metathesis catalysts with chelating alkylidene ligands UMICORE AG & CO KG (DE) 2014-09-24 EP disclosed
US-8536344-B2 Metathesis catalysts UMICORE AG & CO. KG (DE) 2013-09-17 US disclosed
US-20120101279-A1 METHOD FOR PREPARATION OF RUTHENIUM-BASED METATHESIS CATALYSTS WITH CHELATING ALKYLIDENE LIGANDS UMICORE AG & CO. KG (DE) 2012-04-26 US disclosed
US-20120101279-A1 METHOD FOR PREPARATION OF RUTHENIUM-BASED METATHESIS CATALYSTS WITH CHELATING ALKYLIDENE LIGANDS UMICORE AG & CO. KG (DE) 2012-04-26 US disclosed
EP-2255877-A1 Method for preparation of ruthenium-based metathesis catalysts with chelating alkylidene ligands Umicore AG & Co. KG (DE) 2010-12-01 EP disclosed
WO-2010127829-A1 METHOD FOR PREPARATION OF RUTHENIUM-BASED METATHESIS CATALYSTS WITH CHELATING ALKYLIDENE LIGANDS UMICORE AG & CO. KG (DE) 2010-11-11 WO disclosed
US-20100113795-A1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2010-05-06 US disclosed
US-20100113795-A1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2010-05-06 US disclosed
US-20100113795-A1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2010-05-06 US disclosed
EP-2066443-A1 NOVEL METATHESIS CATALYSTS Umicore AG & Co. KG (DE) 2009-06-10 EP disclosed
WO-2008034552-A1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2008-03-27 WO disclosed
WO-2008034552-A1 NOVEL METATHESIS CATALYSTS UMICORE AG & CO. KG (DE) 2008-03-27 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 (2 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-20100113795-A1 NOVEL METATHESIS CATALYSTS CYP1B1, CYP51A1, CYP1A1 KMT2A 2895/4885MEN1 13/4885PTGDR2 3501/4885
US-20120101279-A1 METHOD FOR PREPARATION OF RUTHENIUM-BASED METATHESIS CATALYSTS WITH CHELATING ALKYLIDENE LIGANDS HMOX2, TIMCC, HPD KMT2A 572/4885MEN1 1992/4885PTGDR2 448/4885

“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.