SCHEMBL907017

SCHEMBL907017

C=C(C)C(=O)Nc1ccc(OP(=O)(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
TDP1 Q9NUW8 3/20 0.44
SRC P12931 1/20 0.43
BLM P54132 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
BAZ1A Q9NRL2 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
GPR174 Q9BXC1 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3194420 0.95 RXFP1 (0.49) RXFP1TDP1SRCBLMSMN1; SMN2
SCHEMBL3193220 0.92 RXFP1 (0.46) RXFP1TDP1SRCBLMKMT2A
SCHEMBL3197838 0.92 SAE1 (0.48) RXFP1TDP1SRCBLMKMT2A
SCHEMBL3188455 0.90 RXFP1 (0.53) RXFP1TDP1BLMKMT2AMEN1
SCHEMBL3193392 0.90 RXFP1 (0.44) RXFP1TDP1SRCBLMKMT2A
SCHEMBL3191949 0.90 PKM (0.44) RXFP1KMT2AMEN1POLBCA1
SCHEMBL3189167 0.90 RXFP1 (0.51) RXFP1TDP1SRCBLMKMT2A
SCHEMBL3195794 0.89 RXFP1 (0.54) RXFP1TDP1BLMKMT2AMEN1
SCHEMBL3187581 0.86 RXFP1 (0.49) RXFP1TDP1KMT2AMEN1SMN1; SMN2
SCHEMBL3199696 0.84 RXFP1 (0.50) RXFP1TDP1KMT2AMEN1SMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 US claimed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 EP claimed
EP-2277496-B1 Dental material containing surface-modified fillers IVOCLAR VIVADENT AG (LI) 2016-03-30 EP disclosed
CN-101516896-B Phosphate ester compound, metal salt thereof, dental material, and demtal composition MITSU CHEMICALS INC 2013-06-05 CN disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
EP-2058318-B1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION MITSUI CHEMICALS INC (JP) 2012-05-16 EP disclosed
EP-2058318-B1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION MITSUI CHEMICALS INC (JP) 2012-05-16 EP disclosed
EP-2080503-B1 Dental materials with surface functional fillers IVOCLAR VIVADENT AG (LI) 2011-09-14 EP disclosed
EP-2277496-A1 Dental material containing surface-modified fillers Ivoclar Vivadent AG (LI) 2011-01-26 EP disclosed
US-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
US-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
CN-101516896-A Phosphate ester compound, metal salt thereof, dental material, and demtal composition MITSUI CHEMICALS INC (JP) 2009-08-26 CN disclosed
US-20090186960-A1 DENTAL MATERIALS WITH SURFACE-FUNCTIONALIZED FILLERS IVOCLAR VIVADENT AG (LI) 2009-07-23 US disclosed
EP-2080503-A1 Dental materials with surface functional fillers Ivoclar Vivadent AG (LI) 2009-07-22 EP disclosed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 EP disclosed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 EP disclosed
EP-1716836-A1 Surface-modified fillers Ivoclar Vivadent AG (LI) 2006-11-02 EP disclosed
US-20060247329-A1 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2006-11-02 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 (3 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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION CAD, PPIP5K2, SLC20A1 RXFP1 4811/4885TDP1 4028/4885SRC 1448/4885
US-20090186960-A1 DENTAL MATERIALS WITH SURFACE-FUNCTIONALIZED FILLERS ITGAM, ITGA5, ITGA1 RXFP1 1296/4885TDP1 4424/4885SRC 3178/4885
US-20060247329-A1 Surface-modified fillers MSR1, HRH4, OR10J3 RXFP1 794/4885TDP1 4617/4885SRC 3571/4885

“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.