SCHEMBL2337516

SCHEMBL2337516

C=C(C)C(=O)OCCNC(=O)OCCOc1ccccc1-c1ccccc1OCCOC(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13380545 0.95 KDM4E (0.44) MTNR1AMTNR1BNPSR1SMN1; SMN2KDM4E
SCHEMBL17679500 0.93 KDM4E (0.51) SMN1; SMN2KDM4EALDH1A1USP2MEN1
SCHEMBL2339053 0.93 POLB (0.46) MTNR1AMTNR1BSMN1; SMN2LMNAKDM4E
SCHEMBL1938350 0.88 THRB (0.46) NPSR1SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL17679501 0.86 KDM4E (0.50) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL17679502 0.86 KDM4E (0.50) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12446626 0.86 SMN1; SMN2 (0.40) MTNR1AMTNR1BSMN1; SMN2LMNAKDM4E
SCHEMBL13380525 0.85 LMNA (0.43) MTNR1AMTNR1BSMN1; SMN2LMNAKDM4E
SCHEMBL18623998 0.83 KDM4E (0.48) SMN1; SMN2KDM4EALDH1A1USP2MEN1
SCHEMBL12446630 0.82 L3MBTL1 (0.44) MTNR1AMTNR1BNPSR1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389599-B2 Dental composition comprising biphenyl di(meth)acrylate monomer comprising urethane moieties 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-03-05 US disclosed
US-8389599-B2 Dental composition comprising biphenyl di(meth)acrylate monomer comprising urethane moieties 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-03-05 US disclosed
EP-2376573-A2 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER COMPRISING URETHANE MOIETIES 3M Innovative Properties Company (US) 2011-10-19 EP disclosed
US-20110207086-A1 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER COMPRISING URETHANE MOIETIES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2011-08-25 US disclosed
US-20110207086-A1 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER COMPRISING URETHANE MOIETIES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2011-08-25 US disclosed
WO-2010048067-A2 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER COMPRISING URETHANE MOIETIES 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-04-29 WO disclosed
WO-2010048067-A2 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER COMPRISING URETHANE MOIETIES 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-04-29 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-20110207086-A1 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER COMPRISING URETHANE MOIETIES MAT2B, CAD, MMAB MTNR1A 1345/4885MTNR1B 957/4885NPSR1 4844/4885

“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.