SCHEMBL2084490

SCHEMBL2084490

c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5cc5ccccc45)c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.58
GPR84 Q9NQS5 3/20 0.46
ESR1 P03372 6/20 0.46
ESR2 Q92731 5/20 0.46
HSD17B1 P14061 4/20 0.45
HSD17B2 P37059 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2B6 P20813 2/20 0.45
CES1 P23141 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
MPI P34949 1/20 0.41

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
SCHEMBL22534453 0.98 ALOX5 (0.55) ALOX5GPR84ESR1ESR2HSD17B1
SCHEMBL30679838 0.98 ALOX5 (0.55) ALOX5GPR84ESR1ESR2HSD17B1
SCHEMBL5955945 0.98 ALOX5 (0.55) ALOX5GPR84ESR1ESR2HSD17B1
SCHEMBL2709851 0.89 ALOX5 (0.59) ALOX5GPR84ESR1ESR2HSD17B1
SCHEMBL29591632 0.89 ALOX5 (0.59) ALOX5GPR84ESR1ESR2HSD17B1
SCHEMBL30089327 0.88 ALOX5 (0.55) ALOX5GPR84ESR1ESR2HSD17B1
SCHEMBL20896971 0.88 ALOX5 (0.55) ALOX5GPR84ESR1ESR2HSD17B1
SCHEMBL13700811 0.87 ALOX5 (0.50) ALOX5GPR84ESR1ESR2HSD17B1
SCHEMBL2085806 0.87 ALOX5 (0.52) ALOX5GPR84ESR1ESR2CYP1A2
Biphenyl SCHEMBL27607782 0.87 ALOX5 (0.55) ALOX5GPR84ESR1ESR2CYP1A2

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
US-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-03-03 US disclosed
US-7790892-B2 Aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-09-07 US disclosed
US-20050214565-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2005-09-29 US disclosed
EP-1496041-A1 NOVEL AROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCNET ELEMENT CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-01-12 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-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same TYR, EML4, TCF7L2 ALOX5 3307/4885GPR84 3527/4885ESR1 40/4885

“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.