SCHEMBL2087807

SCHEMBL2087807

Clc1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AHR P35869 1/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTRC Q99895 1/20 0.41
MAP4K4 O95819 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL30709030 0.92 CYP1A2 (0.46) CYP1A2ALDH1A1SMN1; SMN2ESR1ESR2
Biphenyl SCHEMBL27607852 0.92 CYP1A2 (0.71) CYP1A2KDM4EALDH1A1POLBHTT
SCHEMBL9971854 0.89 CYP1A2 (0.67) CYP1A2KDM4EALDH1A1ESR1ESR2
SCHEMBL30708996 0.88 RXRA (0.46) CYP1A2SMN1; SMN2ESR1ESR2NPC1
SCHEMBL5948237 0.88 CYP1A2 (0.52) CYP1A2KDM4EESR1ESR2LMNA
SCHEMBL23702367 0.87 ALDH1A1 (0.47) KDM4EALDH1A1HTTSMN1; SMN2ESR1
SCHEMBL2960612 0.87 ALDH1A1 (0.47) CYP1A2KDM4EALDH1A1HTTESR1
SCHEMBL21416087 0.85 CYP1A2 (0.68) CYP1A2KDM4EALDH1A1POLBHTT
SCHEMBL261400 0.85 ALDH1A1 (0.50) CYP1A2ALDH1A1HTTESR1ESR2
SCHEMBL21663932 0.85 CYP1A2 (0.83) CYP1A2KDM4EALDH1A1POLBHTT

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 CYP1A2 644/4885KDM4E 605/4885ALDH1A1 408/4885

“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.