SCHEMBL4882782

SCHEMBL4882782

C=C(C)C(=O)OCCOC(=O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.44
TDP1 Q9NUW8 4/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 6/20 0.41
THRB P10828 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL1173737 0.94 TDP1 (0.51) TSHRTDP1POLBAPEX1HTT
SCHEMBL4882801 0.93 TDP1 (0.53) TSHRTDP1POLBAPEX1HTT
SCHEMBL4872508 0.93 TDP1 (0.53) TSHRTDP1POLBAPEX1HTT
SCHEMBL11018360 0.93 TSHR (0.43) TSHRTDP1POLBAPEX1HTT
SCHEMBL10585165 0.89 ALDH1A1 (0.39) TSHRTDP1POLBAPEX1HTT
SCHEMBL36715 0.87 TSHR (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL29366686 0.87 TSHR (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL4783599 0.87 TSHR (0.56) TSHRTDP1POLBAPEX1HTT
SCHEMBL4577168 0.86 TSHR (0.44) TSHRTDP1POLBAPEX1HTT
SCHEMBL3861878 0.85 TDP1 (0.40) TSHRTDP1POLBAPEX1HTT

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-20080182919-A1 Dental Restorative Composition SUN MEDICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1854447-A1 DENTAL RESTORATION MATERIAL COMPOSITION SUN MEDICAL CO., LTD. (JP) 2007-11-14 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-20080182919-A1 Dental Restorative Composition PARG, PARN, FHIT TSHR 3228/4885TDP1 312/4885POLB 269/4885

“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.