SCHEMBL285630

SCHEMBL285630

C=CC(=O)OCCSC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
KIF11 P52732 1/20 0.44
TSHR P16473 6/20 0.39
TBXA2R P21731 4/20 0.39
PTGIR P43119 4/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HIF1A Q16665 3/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL285727 0.89 THRB (0.50) THRBKIF11TSHRHPGDALDH1A1
SCHEMBL285335 0.85 THRB (0.53) THRBKIF11TSHRALDH1A1HIF1A
SCHEMBL285356 0.83 THRB (0.48) THRBKIF11TSHRHPGDALDH1A1
SCHEMBL285398 0.81 THRB (0.48) THRBKIF11TSHRHPGDALDH1A1
SCHEMBL285399 0.80 KIF11 (0.44) THRBKIF11TSHRTBXA2RPTGIR
SCHEMBL285406 0.80 THRB (0.47) THRBKIF11TSHRHPGDALDH1A1
SCHEMBL285640 0.79 TSHR (0.49) THRBTSHRHPGDALDH1A1HIF1A
SCHEMBL10437472 0.77 THRB (0.56) THRBTSHRHPGDALDH1A1HIF1A
SCHEMBL12285473 0.76 TSHR (0.50) THRBTSHRHPGDALDH1A1HIF1A
SCHEMBL17320929 0.75 THRB (0.51) THRBTSHRHPGDALDH1A1HIF1A

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 4392/4885KIF11 519/4885TSHR 4518/4885

“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.