SCHEMBL5879025

SCHEMBL5879025

C=CCOc1ccccc1[Mg]Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LIG1 P18858 1/20 0.45
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC22A1 O15245 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40

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
1,2-Diallyloxybenzene SCHEMBL29768784 0.80 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL366516 0.80 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL30216506 0.75 LIG1 (0.53) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL4590099 0.75 ALDH1A1 (0.50) HPGDHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL930326 0.75 LIG1 (0.53) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL7764770 0.74 HPGD (0.55) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL3800333 0.74 HPGD (0.55) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL580084 0.72 HPGD (0.53) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL28427811 0.72 HPGD (0.53) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL910763 0.72 HPGD (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053199-B2 Nucleoside analogs and oligonucleotide derivatives containing these analogs Imanishi, Takeshi (JP) 2006-05-30 US disclosed
US-20040192918-A1 Novel nucleoside analogs and oligonucleotide derivatives containing these analogs IMANISHI, TAKESHI (JP) 2004-09-30 US disclosed
EP-1314734-A1 NOVEL NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE DERIVATIVES CONTAINING THESE ANALOGS Imanishi, Takeshi (JP) 2003-05-28 EP 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-20040192918-A1 Novel nucleoside analogs and oligonucleotide derivatives containing these analogs DCLRE1B, POLB, POLR1E HPGD 2100/4885TSHR 3182/4885MAPK1 3678/4885

“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.