SCHEMBL4872508

SCHEMBL4872508

C=C(C)C(=O)OCCCCCCCCCCOC(=O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.53
POLB P06746 2/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 7/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PRKCG P05129 2/20 0.39
PRKCB P05771 2/20 0.39
PRKCA P17252 2/20 0.39
PRKCE Q02156 2/20 0.39
PRKCD Q05655 2/20 0.39
PRKCH P24723 1/20 0.39
MAPT P10636 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
SCHEMBL4882801 1.00 TDP1 (0.53) TDP1POLBAPEX1HTTTSHR
SCHEMBL1173737 0.99 TDP1 (0.51) TDP1POLBAPEX1HTTTSHR
SCHEMBL4882782 0.93 TSHR (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL11018360 0.86 TSHR (0.43) TDP1POLBAPEX1HTTTSHR
SCHEMBL194750 0.86 TSHR (0.58) TDP1POLBAPEX1HTTTSHR
SCHEMBL10585165 0.85 ALDH1A1 (0.39) TDP1POLBAPEX1HTTTSHR
SCHEMBL11229934 0.84 TSHR (0.66) TDP1POLBAPEX1HTTTSHR
SCHEMBL4805293 0.84 TSHR (0.66) TDP1POLBAPEX1HTTTSHR
SCHEMBL9156195 0.83 ALDH1A1 (0.69) TDP1POLBTSHRALDH1A1LMNA
SCHEMBL22289836 0.83 ALDH1A1 (0.69) TDP1POLBTSHRALDH1A1LMNA

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 TDP1 312/4885POLB 269/4885APEX1 1142/4885

“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.