SCHEMBL2510951

SCHEMBL2510951

C=C(C)C(=O)OCCNC(=O)OCC(O)COc1ccc2ccccc2c1-c1c(OCC(O)COC(=O)NCCOC(=O)C(=C)C)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
NR2E1 Q9Y466 4/20 0.38
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 4/20 0.36
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A4 P31645 3/20 0.36
HTR2B P41595 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
ADRB3 P13945 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
SCN1A P35498 2/20 0.36
HTR6 P50406 2/20 0.36
SLC10A1 Q14973 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36

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
SCHEMBL2510952 0.92 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDNR2E1PTGS2
SCHEMBL12416580 0.88 NR2E1 (0.45) ALDH1A1KDM4EHPGDNR2E1PTGS2
SCHEMBL12446624 0.87 KDM4E (0.46) ALDH1A1KDM4EHPGDPTGS2SMN1; SMN2
SCHEMBL13380525 0.83 LMNA (0.43) ALDH1A1KDM4ECYP1A2ADRB2ADRB1
SCHEMBL13380544 0.83 NCEH1 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL17034129 0.81 ADRB2 (0.45) KDM4ECYP1A2ADRB2ADRB1SMN1; SMN2
SCHEMBL12446625 0.81 LMNA (0.40) ALDH1A1KDM4ECYP1A2ADRB2ADRB1
SCHEMBL17034340 0.81 ADRB2 (0.45) ALDH1A1KDM4ECYP1A2ADRB2ADRB1
SCHEMBL18234056 0.78 NR2E1 (0.49) ALDH1A1KDM4ENR2E1PTGS2CYP1A2
SCHEMBL10398142 0.78 MAPT (0.44) ALDH1A1KDM4EHPGDPTGS2ADRB2

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 6 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

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 ALDH1A1 121/4885KDM4E 939/4885HPGD 3121/4885

“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.