SCHEMBL12624739

SCHEMBL12624739

Cc1ccc2cc(-n3c(-c4ccccc4)nc4ccccc43)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.61
▸ ESR2 Q92731 1/20 0.61
▸ GRIA1 P42261 1/20 0.49
▸ CACNG8 Q8WXS5 1/20 0.49
▸ CACNG2 Q9Y698 1/20 0.49
▸ TP53 P04637 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL20091329 0.90 ESR1 (0.66) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14505892 0.89 MAPK10 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20086825 0.89 ESR1 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL16521582 0.86 ESR1 (0.74) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17755348 0.86 ESR1 (0.47) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12571920 0.86 MAPK1 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22926671 0.85 ESR1 (0.60) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL10023611 0.84 MAPK1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL10023640 0.84 MAPK1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13042910 0.83 ESR1 (0.54) ESR1ESR2GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8974919-B2 Anthracene derivative and an organic electronic device using the same LG CHEM, LTD. (KR) 2015-03-10 — — US disclosed
US-8974919-B2 Anthracene derivative and an organic electronic device using the same LG CHEM, LTD. (KR) 2015-03-10 — — 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
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-20110108826-A1 ANTHRACENE DERIVATIVE AND AN ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM LTD. (KR) 2011-05-12 — — US disclosed
US-20110108826-A1 ANTHRACENE DERIVATIVE AND AN ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM LTD. (KR) 2011-05-12 — — 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
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-20110108826-A1 ANTHRACENE DERIVATIVE AND AN ORGANIC ELECTRONIC DEVICE USING THE SAME XPOT, ATXN10, ATXN2 ESR1 45/4885ESR2 369/4885GRIA1 4360/4885

“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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