SCHEMBL295983

SCHEMBL295983

C=C(C)C(=O)OCCCSC(C)(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
THRB P10828 1/20 0.36
ELANE P08246 1/20 0.35
CHRM2 P08172 4/20 0.35
CHRM4 P08173 4/20 0.35
CHRM1 P11229 4/20 0.35
CHRM3 P20309 4/20 0.35
KIF11 P52732 2/20 0.35
CHRM5 P08912 1/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL285400 0.96 TDP1 (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL285578 0.95 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL285289 0.92 POLB (0.41) TDP1POLBAPEX1HTTTSHR
SCHEMBL285398 0.81 THRB (0.48) TDP1TSHRTHRBCHRM2CHRM4
SCHEMBL21465707 0.81 TSHR (0.53) TDP1POLBAPEX1HTTTSHR
SCHEMBL285399 0.81 KIF11 (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL285514 0.79 KIF11 (0.49) TDP1POLBAPEX1HTTKIF11
SCHEMBL716371 0.78 CYP2C19 (0.37) ELANECHRM2CHRM4CHRM1CHRM3
SCHEMBL12285542 0.78 TSHR (0.53) TDP1POLBAPEX1HTTTSHR
SCHEMBL718455 0.77 KIF11 (0.36) ELANECHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
EP-2427509-A1 POLYMER COMPOSITION Contamac Limited (GB) 2012-03-14 EP disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US disclosed
WO-2010128266-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2010-11-11 WO 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ TDP1 3344/4885POLB 1398/4885APEX1 2086/4885

“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.