SCHEMBL3200856

SCHEMBL3200856

CC=CC(=O)Nc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.67
▸ TDP2 O95551 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ THRB P10828 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ MMP1 P03956 9/20 0.65
▸ MMP2 P08253 9/20 0.65
▸ MMP9 P14780 9/20 0.65
▸ DEGS1 O15121 2/20 0.59
▸ MEN1 O00255 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ BRD4 O60885 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ MB P02144 1/20 0.55
▸ CYP1A1 P04798 1/20 0.55
▸ CA3 P07451 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55

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
SCHEMBL5175946 1.00 MAPT (0.67) MAPTTDP2GAATHRBL3MBTL1
SCHEMBL7771158 0.87 MAPT (0.84) MAPTTDP2GAATHRBL3MBTL1
SCHEMBL7771152 0.87 MAPT (0.84) MAPTTDP2GAATHRBL3MBTL1
SCHEMBL26034043 0.84 NMT1 (0.70) MAPTTHRBMMP1MMP2MMP9
SCHEMBL6587982 0.84 NMT1 (0.70) MAPTTHRBMMP1MMP2MMP9
SCHEMBL20280569 0.82 TGM2 (0.67) MAPTTDP2GAATHRBL3MBTL1
SCHEMBL31501449 0.82 MAPT (0.55) MAPTTDP2GAATHRBL3MBTL1
SCHEMBL29246294 0.82 TGM2 (0.61) MAPTL3MBTL1MMP1MMP2MMP9
SCHEMBL27947098 0.82 MAPT (0.55) MAPTTDP2GAATHRBL3MBTL1
SCHEMBL11835143 0.82 MAPT (0.66) MAPTGAATHRBL3MBTL1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058318-B1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION MITSUI CHEMICALS INC (JP) 2012-05-16 — — EP disclosed
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 MAPT 86/4885TDP2 3926/4885GAA 3299/4885

“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.

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