SCHEMBL12571920

SCHEMBL12571920

Cc1ccc2cc(-c3nc4ccccc4n3-c3ccccc3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ GRIA1 P42261 1/20 0.49
▸ CACNG8 Q8WXS5 1/20 0.49
▸ CACNG2 Q9Y698 1/20 0.49
▸ MAPK10 P53779 3/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45

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
SCHEMBL10023640 0.99 MAPK1 (0.53) MAPK1HTTESR1ESR2GRIA1
SCHEMBL10023611 0.99 MAPK1 (0.53) MAPK1HTTESR1ESR2GRIA1
SCHEMBL11954094 0.93 ESR1 (0.50) MAPK1HTTESR1ESR2GRIA1
SCHEMBL13414606 0.93 MAPK1 (0.53) MAPK1HTTESR1ESR2GRIA1
SCHEMBL14506005 0.92 PTGER4 (0.47) MAPK1HTTESR1ESR2GRIA1
SCHEMBL10023102 0.92 PTGER4 (0.47) MAPK1HTTESR1ESR2GRIA1
SCHEMBL14505982 0.91 PTGER4 (0.47) MAPK1HTTESR1ESR2GRIA1
SCHEMBL11954044 0.91 PTGER4 (0.47) MAPK1HTTESR1ESR2GRIA1
SCHEMBL14506141 0.91 ESR1 (0.59) MAPK1HTTESR1ESR2GRIA1
SCHEMBL8011262 0.90 ESR1 (0.57) MAPK1HTTESR1ESR2GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957407-B2 Anthracene derivatives, preparation method thereof and organic light emitting diode using the same LG CHEM, LTD. (KR) 2015-02-17 — — US disclosed
US-8957407-B2 Anthracene derivatives, preparation method thereof and organic light emitting diode using the same LG CHEM, LTD. (KR) 2015-02-17 — — US disclosed
US-8951831-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2015-02-10 — — US disclosed
US-8951831-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2015-02-10 — — US disclosed
EP-1937616-B1 NEW BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2014-12-17 — — EP disclosed
US-20140183505-A1 BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2014-07-03 — — US disclosed
US-20140183505-A1 BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2014-07-03 — — US disclosed
US-8674138-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2014-03-18 — — US disclosed
US-8674138-B2 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2014-03-18 — — US disclosed
US-7965032-B2 Anthracene derivative and organic electronic device using the same LG CHEM, LTD. (KR) 2011-06-21 — — US disclosed
US-7965032-B2 Anthracene derivative and organic electronic device using the same LG CHEM, LTD. (KR) 2011-06-21 — — US disclosed
EP-1926795-B1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(1) LG CHEMICAL LTD (KR) 2011-01-19 — — EP disclosed
US-20100252817-A1 New Anthracene Derivatives, Preparation Method Thereof and Organic Light Emitting Diode Using the Same LG CHEM. LTD. (KR) 2010-10-07 — — US disclosed
US-20100252817-A1 New Anthracene Derivatives, Preparation Method Thereof and Organic Light Emitting Diode Using the Same LG CHEM. LTD. (KR) 2010-10-07 — — US disclosed
WO-2007086695-A1 NEW ANTHRACENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE SAME LG CHEM. LTD. (KR) 2007-08-02 — — WO disclosed
US-20070108892-A1 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-05-17 — — US disclosed
US-20070108892-A1 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-05-17 — — US disclosed
WO-2007046658-A1 NEW BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2007-04-26 — — WO 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-20100252817-A1 New Anthracene Derivatives, Preparation Method Thereof and Organic Light Emitting Diode Using the Same CYBA, XPOT, TOMM22 MAPK1 2922/4885HTT 1440/4885ESR1 194/4885

“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.

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