SCHEMBL285117

SCHEMBL285117

C=CC(=O)OCCC(C)(C)Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
TSHR P16473 7/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 6/20 0.39
CYP3A4 P08684 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
HSD17B10 Q99714 3/20 0.39
AKR1B10 O60218 3/20 0.35
AKR1B1 P15121 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
TTR P02766 4/20 0.34
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 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
SCHEMBL285067 0.89 TSHR (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL285105 0.89 TSHR (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL285778 0.85 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL285292 0.83 THRB (0.48) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL285409 0.82 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL285620 0.82 THRB (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL285817 0.78 THRB (0.38) THRBTSHRALDH1A1CYP3A4HIF1A
SCHEMBL10099798 0.76 TSHR (0.50) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL285628 0.76 HCAR2 (0.39) THRBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL717487 0.75 TGM2 (0.46) HPGDALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
US-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
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
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US 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
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.