SCHEMBL6910522

SCHEMBL6910522

C=CC(=O)OCCCCCCCCCCOc1nc(S)nc(S)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 2/20 0.58
HPGD P15428 1/20 0.45
THRB P10828 2/20 0.42
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.34
HCAR2 Q8TDS4 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APP P05067 2/20 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
SCHEMBL2360614 0.87 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL15901344 0.84 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL322104 0.77 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL13945622 0.76 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL322713 0.76 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL8493780 0.76 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL9101988 0.76 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL20873747 0.76 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL33725 0.76 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL13283404 0.76 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62292774-A None JP disclosed
US-20040259992-A1 Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses 3M ESPE AG (DE) 2004-12-23 US disclosed
EP-1360245-B1 ADHESIVES FOR METAL-POLYMER COMPOSITES 3M ESPE AG (DE) 2004-07-14 EP disclosed
EP-1360245-A1 ADHESIVES FOR METAL-POLYMER COMPOSITES 3M Espe AG (DE) 2003-11-12 EP disclosed
WO-2002072711-A1 ADHESIVES FOR METAL-POLYMER COMPOSITES 3M ESPE AG (DE) 2002-09-19 WO disclosed
JP-S62292774-A TRIAZINTHIOL GROUP-CONTAINING (METH)ACRYLIC ESTER KURARAY CO LTD 1987-12-19 JP 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-20040259992-A1 Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses ITGA2, ITGB2, ITGA2B TSHR 3882/4885ALDH1A1 453/4885CYP3A4 4422/4885

“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.