SCHEMBL2087364

SCHEMBL2087364

Clc1cccc(-c2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
CYP1A2 P05177 5/20 0.44
CYP1B1 Q16678 5/20 0.44
CYP1A1 P04798 4/20 0.44
FADS1 O60427 1/20 0.43
NR1I3 Q14994 1/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 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
SCHEMBL13433266 0.85 ALOX5 (0.52) ALOX5CYP1A2CYP1B1CYP1A1ESR1
SCHEMBL5948518 0.85 GABRP (0.46) ALOX5CYP1A2CYP1B1CYP1A1NR1I3
SCHEMBL5948360 0.85 ALOX5 (0.42) ALOX5CYP1A2CYP1B1CYP1A1FADS1
SCHEMBL18371188 0.83 PTGS1 (0.49) ALOX5NR1I3ESR1ESR2GABRP
SCHEMBL5947994 0.83 ALOX5 (0.48) ALOX5NR1I3ESR2GABRPGABRD
SCHEMBL29446753 0.81 ESR1 (0.56) NR1I3ESR1ESR2KDM4ELMNA
SCHEMBL15763549 0.81 ESR1 (0.51) ALOX5ESR1ESR2MAP4K4KDM4E
SCHEMBL15763542 0.81 ESR1 (0.55) ALOX5CYP1A2ESR1ESR2KDM4E
SCHEMBL603134 0.81 ESR1 (0.56) NR1I3ESR1ESR2KDM4ELMNA
SCHEMBL24316334 0.80 CYP1A2 (0.46) CYP1A2CYP1B1CYP1A1FADS1NR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113860984-A Magnesium-activated ligand-promoted chromium-catalyzed polycyclic aromatic hydrocarbon and olefin regioselective hydrogenation method 延安大学 2021-12-31 CN disclosed
US-8173273-B2 Anthracene derivatives, method for preparation thereof, and organic electronic device using the same LG CHEM, LTD. (KR) 2012-05-08 US disclosed
US-8173273-B2 Anthracene derivatives, method for preparation thereof, and organic electronic device using the same LG CHEM, LTD. (KR) 2012-05-08 US disclosed
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-20100044681-A1 Novel Anthracene Derivatives, Method for Preparation Thereof, and Organic Electronic Device Using the Same LG CHEM, LTD. (KR) 2010-02-25 US disclosed
US-20100044681-A1 Novel Anthracene Derivatives, Method for Preparation Thereof, and Organic Electronic Device Using the Same LG CHEM, LTD. (KR) 2010-02-25 US disclosed
CN-100475759-C Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU PETROCHEMICAL CO (JP) 2009-04-08 CN disclosed
WO-2007123339-A9 NOVEL ANTHRACENE DERIVATIVES, METHOD FOR PREPARATION THEREOF, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2008-12-11 WO disclosed
WO-2007123339-A1 NOVEL ANTHRACENE DERIVATIVES, METHOD FOR PREPARATION THEREOF, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2007-11-01 WO disclosed
CN-1939884-A Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO (JP) 2007-04-04 CN disclosed
CN-1876610-A Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO (JP) 2006-12-13 CN disclosed
US-20050214565-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2005-09-29 US disclosed
CN-1646456-A Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO (JP) 2005-07-27 CN 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 (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-20100044681-A1 Novel Anthracene Derivatives, Method for Preparation Thereof, and Organic Electronic Device Using the Same XPOT, TOMM22, TIMM10 ALOX5 361/4885CYP1A2 71/4885CYP1B1 464/4885
US-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same TYR, EML4, TCF7L2 ALOX5 3307/4885CYP1A2 644/4885CYP1B1 1209/4885

“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.