SCHEMBL747080

SCHEMBL747080

CCOC(=O)/C(C)=C/c1ccccc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.76
LMNA P02545 6/20 0.76
MAPT P10636 5/20 0.76
MEN1 O00255 3/20 0.76
PLIN1 O60240 1/20 0.76
POLB P06746 1/20 0.76
PLIN5 Q00G26 1/20 0.76
ABHD5 Q8WTS1 1/20 0.76
KDM4E B2RXH2 5/20 0.50
GAA P10253 3/20 0.49
NFE2L2 Q16236 2/20 0.49
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HTT P42858 1/20 0.48
PKM P14618 2/20 0.48
TFEB P19484 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 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
SCHEMBL747081 1.00 KMT2A (0.76) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL16672718 0.88 LMNA (0.58) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL9494896 0.86 KMT2A (1.00) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL10756378 0.85 KMT2A (0.86) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL10756388 0.85 KMT2A (0.86) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL15026368 0.85 KMT2A (0.86) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL11812438 0.84 MAPT (0.56) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL11812444 0.84 MAPT (0.56) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL16673102 0.83 MEN1 (0.53) KMT2ALMNAMAPTMEN1PLIN1
SCHEMBL21065589 0.83 KMT2A (0.51) KMT2ALMNAMAPTMEN1PLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316846-B1 Spatially-defined macrocyclic compounds useful for drug discovery OCERA THERAPEUTICS INC (US) 2019-10-02 EP disclosed
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
EP-2118080-B1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME OCERA THERAPEUTICS INC (US) 2016-08-31 EP disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
EP-2054429-B1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA INC (CA) 2013-11-06 EP disclosed
EP-2644618-A1 tether intermediates for the synthesis of macrocyclic ghrelin receptor modulators Tranzyme Pharma, Inc. (CA) 2013-10-02 EP disclosed
US-8440851-B2 Spatially-defined macrocyclic compounds useful for drug discovery TRANZYME PHARMA, INC. (CA) 2013-05-14 US disclosed
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-04-15 US disclosed
EP-2054429-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS Tranzyme Pharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008130464-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2008-10-30 WO disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 US disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 US disclosed
WO-2008033328-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA, INC. (US) 2008-03-20 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 (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-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MLNR, GIPR, GPR39 KMT2A 4427/4885LMNA 4810/4885MAPT 3357/4885
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same GHSR, GHRHR, GIPR KMT2A 1898/4885LMNA 3492/4885MAPT 4766/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR KMT2A 1400/4885LMNA 3523/4885MAPT 4808/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR KMT2A 1898/4885LMNA 3492/4885MAPT 4766/4885

“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.