SCHEMBL4452659

SCHEMBL4452659

C=C(C)C(=O)OCC(O)COc1ccc(C(c2ccc(OCC(O)COC(=O)C(=C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
HTT P42858 2/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
AR P10275 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARD Q03181 1/20 0.37
PLA2G4B P0C869 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22020008 0.86 HTT (0.53) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL20610370 0.86 HTT (0.53) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL14173202 0.86 HTT (0.53) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL13792062 0.86 POLB (0.50) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL11967041 0.86 HTT (0.53) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL2184728 0.86 MAPT (0.50) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL15349 0.86 HTT (0.53) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL13670862 0.84 HTT (0.49) POLBMAPTLMNANPSR1SMN1; SMN2
Bicarbonate SCHEMBL7732697 0.84 HTT (0.51) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL3860371 0.84 TSHR (0.40) POLBSMN1; SMN2HTTAPEX1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4910275-A Copolymer of an acrylated polyether and an acrylated ester DAIKIN INDUSTRIES, LTD. (JP) 1990-03-20 US claimed
JP-1075446-A None JP disclosed
EP-1510197-B1 Dental coating material IVOCLAR VIVADENT AG (LI) 2016-03-09 EP disclosed
US-7495037-B2 Dental coating materials IVOCLAR VIVADENT AG (LI) 2009-02-24 US disclosed
US-7495037-B2 Dental coating materials IVOCLAR VIVADENT AG (LI) 2009-02-24 US disclosed
US-7495037-B2 Dental coating materials IVOCLAR VIVADENT AG (LI) 2009-02-24 US disclosed
US-20050165129-A1 Dental coating materials IVOCLAR VIVADENT AG (LI) 2005-07-28 US disclosed
EP-1510197-A1 Dental coating material Firma Ivoclar Vivadent AG (LI) 2005-03-02 EP disclosed
US-4910275-A Copolymer of an acrylated polyether and an acrylated ester DAIKIN INDUSTRIES, LTD. (JP) 1990-03-20 US disclosed
EP-0305954-A1 Dental material DAIKIN INDUSTRIES, LIMITED (JP) 1989-03-08 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-20050165129-A1 Dental coating materials PHOSPHO1, SPTAN1, ITGA1 POLB 1214/4885MAPT 836/4885LMNA 3801/4885

“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.