SCHEMBL23744209

SCHEMBL23744209

C=CCOc1ccccc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
SQOR Q9Y6N5 1/20 0.46
GRM4 Q14833 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GCGR P47871 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL7764770 0.82 HPGD (0.55) ADRA1AHPGDTSHRMAPK1HSD17B10
SCHEMBL10801186 0.77 ADRA1A (0.54) ADRA1DADRA1AADRA1BGRM4HPGD
SCHEMBL9207457 0.77 ADRA1D (0.54) ADRA1DADRA1AADRA1BGRM4HSD17B10
SCHEMBL9687883 0.77 HPGD (0.39) SQORHPGDTSHRMAPK1HSD17B10
SCHEMBL7196588 0.76 KDM4E (0.54) ADRA1DADRA1AADRA1BGRM4HPGD
1,2-Diallyloxybenzene SCHEMBL366516 0.75 HPGD (0.60) ADRA1AHPGDTSHRMAPK1HSD17B10
SCHEMBL515196 0.75 ADRB2 (0.59) ADRA1DADRA1AADRA1BHPGDTSHR
SCHEMBL7723344 0.75 PDE5A (0.58) ADRA1DADRA1AADRA1BGRM4HPGD
SCHEMBL29143257 0.75 PDE5A (0.52) ADRA1DADRA1AADRA1BGRM4MAPK1
SCHEMBL28284772 0.75 ADRA1D (0.58) ADRA1DADRA1AADRA1BGRM4MAPK1

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-20210249611-A1 Charge Transporting Material, Organic Electroluminescent Element, Light Emitting Device, Display Device And Illumination Device UDC IRELAND LTD (IE) 2021-08-12 US disclosed
CN-104311474-B Synthesis method of 3-alkynyl pyridine compound 河南师范大学 2017-01-11 CN 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-20210249611-A1 Charge Transporting Material, Organic Electroluminescent Element, Light Emitting Device, Display Device And Illumination Device TMEM109, SLC39A11, SLC39A14 ADRA1D 270/4885ADRA1A 139/4885ADRA1B 229/4885

“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.