SCHEMBL285741

SCHEMBL285741

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ELANE P08246 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL285208 0.91 TSHR (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL285591 0.83 TDP1 (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL285614 0.81 POLB (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL285271 0.80 TDP1 (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL285265 0.77 TDP1 (0.47) THRBPOLBAPEX1HTTTDP1
SCHEMBL285167 0.76 TDP1 (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL719131 0.76 TDP1 (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL2392778 0.75 MTNR1A (0.50) THRBPOLBAPEX1HTTTDP1
SCHEMBL28552216 0.74 POLB (0.44) THRBPOLBAPEX1HTTTDP1
Diphenylsulfane SCHEMBL8063222 0.73 ALDH1A1 (0.45) THRBPOLBAPEX1HTTTDP1

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 4392/4885POLB 1398/4885APEX1 2086/4885

“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.