SCHEMBL34999

SCHEMBL34999

Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
TSHR P16473 2/20 0.68
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
LTA4H P09960 1/20 0.48
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
MAPT P10636 1/20 0.47
SRC P12931 1/20 0.47
ACHE P22303 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ESR1 P03372 1/20 0.44
HCRTR1 O43613 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 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
Phenol SCHEMBL27766616 0.95 CYP3A4 (0.70) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL34838 0.93 CYP3A4 (0.79) CYP3A4TSHRMEN1KMT2ALMNA
Triphenyl Phosphate SCHEMBL4087814 0.91 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL5667535 0.91 LTA4H (0.58) CYP3A4TSHRMEN1KMT2ALMNA
Triphenyl Phosphate SCHEMBL27323542 0.91 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL9657737 0.91 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL381595 0.91 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL846983 0.91 LTA4H (0.58) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL35597 0.91 CYP3A4 (0.83) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL14023393 0.89 CYP3A4 (0.54) CYP3A4TSHRMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802318-B2 Compound and composition including compound, with fuel cell, fuel cell electrode and fuel cell electrolyte membrane using same SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-08-12 US disclosed
US-20120264909-A1 PHOSPHOROUS CONTAINING BENZOXAZINE-BASED MONOMER, POLYMER THEREOF, ELECTRODE FOR FUEL CELL INCLUDING THE SAME, ELECTROLYTE MEMBRANE FOR FUEL CELL INCLUDING THE SAME, AND FUEL CELL EMPLOYING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-10-18 US disclosed
US-20120264909-A1 PHOSPHOROUS CONTAINING BENZOXAZINE-BASED MONOMER, POLYMER THEREOF, ELECTRODE FOR FUEL CELL INCLUDING THE SAME, ELECTROLYTE MEMBRANE FOR FUEL CELL INCLUDING THE SAME, AND FUEL CELL EMPLOYING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-10-18 US disclosed
US-20110281200-A1 COMPOUND AND COMPOSITION INCLUDING COMPOUND, WITH FUEL CELL, FUEL CELL ELECTRODE AND FUEL CELL ELECTROLYTE MEMBRANE USING SAME SNU R&DB FOUNDATION (KR) 2011-11-17 US 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-20120264909-A1 PHOSPHOROUS CONTAINING BENZOXAZINE-BASED MONOMER, POLYMER THEREOF, ELECTRODE FOR FUEL CELL INCLUDING THE SAME, ELECTROLYTE MEMBRANE FOR FUEL CELL INCLUDING THE SAME, AND FUEL CELL EMPLOYING THE SAME PDK2, PCK1, PDK4 CYP3A4 1526/4885TSHR 4350/4885MEN1 1375/4885

“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.