SCHEMBL179247

SCHEMBL179247

C1=CC2Oc3c(-c4cccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc56)c4)cccc3C2C=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
NTSR1 P30989 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL179248 0.97 EDNRB (0.34) EDNRBEDNRAENPP3ENPP1CA12
SCHEMBL179191 0.93 EDNRB (0.32) EDNRBEDNRA
SCHEMBL1755412 0.91 GPR84 (0.31) EDNRBEDNRA
SCHEMBL24618756 0.91 ENPP3 (0.34) EDNRBEDNRAENPP3ENPP1CA12
SCHEMBL10358943 0.91
SCHEMBL12640760 0.91 EDNRB (0.32) EDNRBEDNRANTSR1HDAC8
SCHEMBL179122 0.90 GPR84 (0.36) HDAC8CYP1A2CYP2C9CYP2C19
SCHEMBL4186277 0.89 HSD17B1 (0.34) HDAC8
SCHEMBL10082723 0.89 HSD17B1 (0.35) HDAC8CYP1A2CYP2C9CYP2C19
SCHEMBL10069124 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-02-23 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 US disclosed
EP-2163550-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-03-17 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 (2 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-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AOC2, AOC3, H1-4 EDNRB 286/4885EDNRA 378/4885ENPP3 1577/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 EDNRB 319/4885EDNRA 84/4885ENPP3 3947/4885

“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.