SCHEMBL4410570

SCHEMBL4410570

C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCO

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.86
THRB P10828 1/20 0.50
NAAA Q02083 1/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 6/20 0.47
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CES2 O00748 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11828985 0.96 TSHR (0.86) TSHRTHRBNAAAPOLBAPEX1
Butyl Alcohol SCHEMBL17472918 0.96 TSHR (0.86) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL5067997 0.96 TSHR (0.86) TSHRTHRBNAAAPOLBAPEX1
Butyl Alcohol SCHEMBL17472910 0.95 TSHR (0.82) TSHRTHRBNAAAPOLBAPEX1
Propanol SCHEMBL17472935 0.95 TSHR (0.89) TSHRTHRBNAAAPOLBAPEX1
Ethylene Glycol SCHEMBL10600183 0.95 TSHR (0.89) TSHRTHRBNAAAPOLBAPEX1
Ethylene Glycol SCHEMBL20263739 0.95 TSHR (0.89) TSHRTHRBNAAAPOLBAPEX1
Ethylene Glycol SCHEMBL27514805 0.95 TSHR (0.89) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL11802107 0.94 TSHR (0.75) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL7198622 0.93 TSHR (0.86) TSHRTHRBNAAAPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090317443-A1 COATED IMPLANT BIOCOMPATIBLES UK LIMITED CHAPMAN HOUSE (GB) 2009-12-24 US disclosed
WO-2008006911-A1 COATED IMPLANT BIOCOMPATIBLES UK LIMITED (GB) 2008-01-17 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-20090317443-A1 COATED IMPLANT ITGA5, ITGB7, ITGA1 TSHR 4153/4885THRB 4203/4885NAAA 3378/4885

“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.