SCHEMBL2082935

SCHEMBL2082935

Brc1c2ccccc2c(-c2cccc(-c3ccc(-c4ccccc4)cc3)c2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.39
KMO O15229 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
GP6 Q9HCN6 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 2/20 0.38
PLA2G2A P14555 1/20 0.37
PLA2G4A P47712 1/20 0.37

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
SCHEMBL5955974 0.98 MAOA (0.40) MAPK1ALDH1A1MEN1ESR1KMT2A
SCHEMBL22534450 0.98 MAOA (0.40) MAPK1ALDH1A1MEN1ESR1KMT2A
SCHEMBL30410472 0.98 MAOA (0.40) MAPK1ALDH1A1MEN1ESR1KMT2A
SCHEMBL15480736 0.96 CRHBP (0.41) MAPK1ALDH1A1MEN1ESR1KMT2A
SCHEMBL12560721 0.92 MAPT (0.44) MAPK1ALDH1A1ESR1KDM4EMAPT
SCHEMBL17366608 0.90 ALDH1A1 (0.41) MAPK1ALDH1A1MEN1ESR1KMT2A
SCHEMBL19862724 0.90 MAPK1 (0.44) MAPK1ALDH1A1ESR1GRIN2DGRIN2A
SCHEMBL13098648 0.89 ESR1 (0.48) MAPK1ALDH1A1ESR1GRIN2DGRIN2A
SCHEMBL2085368 0.88 CRHBP (0.43) MAPK1ALDH1A1MEN1ESR1KMT2A
SCHEMBL29603166 0.87 MAPK1 (0.50) MAPK1ALDH1A1ESR1KDM4EMAPT

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 MAPK1 916/4885ALDH1A1 408/4885MEN1 2095/4885

“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.