SCHEMBL3199696

SCHEMBL3199696

C=C(C)C(=O)Nc1ccc(Oc2ccc(OP(=O)(Oc3ccc(Oc4ccc(NC(=O)C(=C)C)cc4)cc3)Oc3ccc(Oc4ccc(NC(=O)C(=C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PGR P06401 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
EPHX1 P07099 1/20 0.41
TGM2 P21980 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PNLIP P16233 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
SCHEMBL3195794 0.95 RXFP1 (0.54) RXFP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL3194420 0.90 RXFP1 (0.49) RXFP1HPGDSMN1; SMN2PGRALDH1A1
SCHEMBL3187581 0.90 RXFP1 (0.49) RXFP1HPGDSMN1; SMN2PGRALDH1A1
SCHEMBL3191976 0.87 RXFP1 (0.47) RXFP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL3260856 0.87 SAE1 (0.49) RXFP1HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL3204085 0.86 RXFP1 (0.46) RXFP1SMN1; SMN2ALDH1A1TDP1CYP3A4
SCHEMBL3193608 0.86 PKM (0.46) RXFP1HPGDALDH1A1LMNAMEN1
SCHEMBL3188455 0.84 RXFP1 (0.53) RXFP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL907017 0.84 RXFP1 (0.53) RXFP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL23966424 0.83 RXFP1 (0.54) RXFP1HPGDSMN1; SMN2ALDH1A1LMNA

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 RXFP1 4811/4885HPGD 3001/4885SMN1; SMN2 2831/4885

“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.