SCHEMBL285398

SCHEMBL285398

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 2/20 0.44
HIF1A Q16665 3/20 0.37
TP53 P04637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
CHRM5 P08912 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL285406 0.96 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL285640 0.95 TSHR (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL285727 0.92 THRB (0.50) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL295983 0.81 TDP1 (0.45) THRBTSHRCYP3A4HIF1ACHRM2
SCHEMBL285630 0.81 THRB (0.50) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL17320929 0.79 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL718737 0.78 CYP2C19 (0.37) THRBTSHRALDH1A1CYP3A4HIF1A
SCHEMBL12286307 0.78 TSHR (0.57) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL718425 0.77 KIF11 (0.36) THRBTSHRALDH1A1CYP3A4HIF1A
SCHEMBL285335 0.77 THRB (0.53) THRBTSHRALDH1A1CYP3A4HIF1A

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 THRB 4392/4885TSHR 4518/4885HPGD 1705/4885

“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.