SCHEMBL3193290

SCHEMBL3193290

C=C(C)C(=O)Nc1ccc(C(C)(C)c2cccc(OP(=O)(O)O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
PLK1 P53350 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT1 P42224 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SRC P12931 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL3187430 0.93 TDP1 (0.41) TDP1TP53RXFP1MAPTLMNA
SCHEMBL3193392 0.88 RXFP1 (0.44) TDP1TP53RXFP1MAPTNPC1
SCHEMBL3193287 0.84 TGM2 (0.46) TP53PLK1MAPTLMNANPC1
SCHEMBL3195725 0.81 TDP1 (0.57) TDP1TP53RXFP1PLK1NPC1
SCHEMBL3196268 0.81 RXFP1 (0.44) TDP1TP53RXFP1MAPTNPC1
SCHEMBL3204085 0.79 RXFP1 (0.46) TDP1TP53RXFP1MAPTNPC1
SCHEMBL907017 0.79 RXFP1 (0.53) TDP1TP53RXFP1LMNANPC1
SCHEMBL3200141 0.77 TGM2 (0.46) TP53MAPTLMNANPC1MAPK1
SCHEMBL3194420 0.75 RXFP1 (0.49) TDP1RXFP1LMNASMN1; SMN2ALDH1A1
SCHEMBL3192042 0.74 TDP1 (0.57) TDP1TP53RXFP1PLK1NPC1

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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION CAD, PPIP5K2, SLC20A1 TDP1 4028/4885TP53 2536/4885RXFP1 4811/4885

“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.