SCHEMBL20086825

SCHEMBL20086825

Cc1ccc(-c2nc3ccccc3n2-c2ccc3ccccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ GRIA1 P42261 1/20 0.52
▸ CACNG8 Q8WXS5 1/20 0.52
▸ CACNG2 Q9Y698 1/20 0.52
▸ MAPK10 P53779 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 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
SCHEMBL14505892 0.92 MAPK10 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14505891 0.91 MAPK10 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL10023592 0.90 MAPK10 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20091329 0.90 ESR1 (0.66) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12624739 0.89 ESR1 (0.61) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15172041 0.88 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14378356 0.88 ESR2 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13231714 0.88 ESR2 (0.67) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL29465993 0.87 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15172040 0.86 ESR1 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730812-B2 Double spiro compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-08-04 — — US disclosed
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 — — US disclosed
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 — — US 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-10730812-B2 Double spiro compound and organic light-emitting element comprising same NR2E3, CRY1, CRY2 ESR1 11/4885ESR2 17/4885GRIA1 1208/4885
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, CRY2 ESR1 11/4885ESR2 17/4885GRIA1 1208/4885

“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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