SCHEMBL5134014

SCHEMBL5134014

C=CCO[C]c1ccccc1OCC=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LIG1 P18858 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC22A1 O15245 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL361815 0.80 TSHR (0.47) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL7113700 0.80 LIG1 (0.49) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL29107302 0.79 MAPT (0.46) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL29768784 0.78 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL366516 0.78 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL29107288 0.75 ALDH1A1 (0.50) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL5174787 0.72 CYP3A4 (0.39) HPGDTSHRMAPK1HSD17B10CA12
SCHEMBL3820950 0.72 HPGD (0.54) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL7764770 0.72 HPGD (0.55) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL3820470 0.72 CYP3A4 (0.57) HPGDTSHRMAPK1HSD17B10LIG1

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
EP-1654271-B1 STEROID MODIFIED SOLATRIOSES GLYCOMED SCIENCES LTD (KY) 2008-12-10 EP disclosed
US-20070066814-A1 Steroid modified chacotrioses and solatrioses GLYCOMED SCIENCES LIMITED (KY) 2007-03-22 US disclosed
EP-1654271-A1 STEROID MODIFIED CHACOTRIOSES AND SOLATRIOSES GlycoMed Sciences Limited (KY) 2006-05-10 EP disclosed
WO-2005005454-A1 STEROID MODIFIED CHACOTRIOSES AND SOLATRIOSES GLYCOMED SCIENCES LIMITED (KY) 2005-01-20 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-20070066814-A1 Steroid modified chacotrioses and solatrioses HSD17B7, CYP17A1, HSD11B2 HPGD 450/4885TSHR 2317/4885MAPK1 3609/4885

“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.