SCHEMBL3763101

SCHEMBL3763101

O=[N+]([O-])c1ccc(C(O[PH](=O)O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.44
TSHR P16473 3/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES1 P23141 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
NPC1 O15118 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL3763098 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRMAPTMEN1
SCHEMBL2637398 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRMAPTMEN1
SCHEMBL27850491 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRMAPTMEN1
SCHEMBL460871 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRMAPTMEN1
SCHEMBL2637397 0.75 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRMAPTMEN1
SCHEMBL3762861 0.73 MAPT (0.33) ALDH1A1KDM4ETSHRMAPTMEN1
SCHEMBL357344 0.72 CA1 (0.52) MAPTMEN1KMT2ACES1TDP1
SCHEMBL11396193 0.70 ALDH1A1 (0.56) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL8003498 0.70 CA1 (0.66) ALDH1A1KDM4ETSHRMAPTMEN1
SCHEMBL4743348 0.70 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298506-A1 METHOD FOR PRODUCING AN AMINO GROUP-CONTAINING PHOSPHATE COMPOUND, AND A FLAME-RETARDANT RESIN AND FLAME-RETARDANT RESIN COMPOSITION SHOWA HIGHPOLYMER CO., LTD. (JP) 2010-11-25 US disclosed
EP-2036911-A1 PROCESS FOR PRODUCTION OF AMINATED PHOSPHORIC ACID ESTER COMPOUND, FLAME-RETARDANT RESIN, AND FLAME-RETARDANT RESIN COMPOSITION SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-03-18 EP 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-20100298506-A1 METHOD FOR PRODUCING AN AMINO GROUP-CONTAINING PHOSPHATE COMPOUND, AND A FLAME-RETARDANT RESIN AND FLAME-RETARDANT RESIN COMPOSITION ATIC, GART, RPP30 ALDH1A1 2459/4885KDM4E 911/4885TSHR 2372/4885

“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.