SCHEMBL5072835

SCHEMBL5072835

CC(=O)N/C(=C\C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SRC P12931 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GLA P06280 1/20 0.42
CACNA1B Q00975 1/20 0.42

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
SCHEMBL388144 1.00 MTNR1A (0.44) MTNR1AMTNR1BCES1CES2ALDH1A1
SCHEMBL6648182 1.00 MTNR1A (0.44) MTNR1AMTNR1BCES1CES2ALDH1A1
SCHEMBL387761 0.98 MTNR1A (0.43) MTNR1AMTNR1BCES1CES2ALDH1A1
SCHEMBL7584602 0.86 MTNR1A (0.46) MTNR1AMTNR1BCES1CES2ALDH1A1
SCHEMBL4659375 0.86 MTNR1A (0.46) MTNR1AMTNR1BCES1CES2ALDH1A1
SCHEMBL4659374 0.86 MTNR1A (0.46) MTNR1AMTNR1BCES1CES2ALDH1A1
SCHEMBL187459 0.85 SRC (0.46) MTNR1AMTNR1BCES1CES2ALDH1A1
SCHEMBL10600977 0.85 CA2 (0.44) MTNR1AMTNR1BCES1CES2ALDH1A1
SCHEMBL14247549 0.85 SRC (0.46) MTNR1AMTNR1BCES1CES2ALDH1A1
SCHEMBL5142053 0.85 SRC (0.46) MTNR1AMTNR1BCES1CES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP disclosed
CN-101146618-B Unsymmetrically substituted phospholane catalysts EVONIK DEGUSSA GMBH 2012-08-29 CN disclosed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP disclosed
CN-102470356-A Hybrid inorganic/organic polymer catalytic membrane materials comprising immobilized molecular catalysts and their preparation NIPPON KODOSHI CORP 2012-05-23 CN disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP disclosed
CN-101146618-A Unsymmetrically substituted phospholane catalysts DEGUSSA (DE) 2008-03-19 CN 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-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S MTNR1A 2814/4885MTNR1B 2625/4885CES1 3756/4885

“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.