SCHEMBL285817

SCHEMBL285817

C=CC(=O)OC(CC(C)(C)Sc1ccccc1)(CC(C)(C)Sc1ccccc1)CC(C)(C)Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.38
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.33
THRA P10827 1/20 0.33
AKT1 P31749 1/20 0.33
FFAR1 O14842 1/20 0.32
TSHR P16473 1/20 0.31
GSTO1 P78417 1/20 0.31
TGM2 P21980 1/20 0.30
RIPK1 Q13546 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL28662033 0.81 THRB (0.38) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL6284319 0.79 THRB (0.40) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL285117 0.78 THRB (0.50) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL285628 0.77 HCAR2 (0.39) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL717688 0.76 ALDH1A1 (0.41) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL285105 0.74 TSHR (0.49) THRBALDH1A1CYP3A4HIF1ATHRA
SCHEMBL285067 0.74 TSHR (0.49) THRBALDH1A1CYP3A4HIF1ATHRA
SCHEMBL3169549 0.71 CYP2C19 (0.46) THRBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL717487 0.71 TGM2 (0.46) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL718737 0.70 CYP2C19 (0.37) THRBCYP2C19ALDH1A1CYP3A4CYP2C9

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 4392/4885CYP2C19 1029/4885ALDH1A1 3560/4885

“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.