SCHEMBL285208

SCHEMBL285208

C=C(C)C(=O)OCCC(CCC)(CCC)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NFKB1 P19838 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
SCHEMBL285741 0.91 THRB (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL285591 0.82 TDP1 (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL285409 0.82 THRB (0.47) TSHRTHRBSCN1ASCN2ASCN3A
SCHEMBL285614 0.80 POLB (0.39) TSHRTHRBPOLBAPEX1HTT
SCHEMBL285271 0.79 TDP1 (0.39) TSHRTHRBPOLBAPEX1HTT
SCHEMBL285265 0.76 TDP1 (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL719131 0.75 TDP1 (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL285167 0.75 TDP1 (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2392778 0.74 MTNR1A (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28552216 0.73 POLB (0.44) TSHRTHRBPOLBAPEX1HTT

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 TSHR 4518/4885THRB 4392/4885POLB 1398/4885

“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.