SCHEMBL20091333

SCHEMBL20091333

Cc1cccc(-c2nc(-c3ccccc3)cc(-c3cccc(Cc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.52
▸ MEN1 O00255 8/20 0.52
▸ RAB9A P51151 7/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ LTA4H P09960 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ HPGD P15428 6/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ TDP1 Q9NUW8 5/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NTSR1 P30989 1/20 0.44
▸ NR1I3 Q14994 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ XDH P47989 1/20 0.41

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
SCHEMBL25643969 0.96 MEN1 (0.52) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL20156851 0.91 MEN1 (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL20156933 0.91 MEN1 (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL20156908 0.86 NPC1 (0.54) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL22373677 0.85 RAB9A (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL25162663 0.84 RAB9A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL22308562 0.83 MEN1 (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL16376445 0.83 MEN1 (0.58) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL16376452 0.83 MEN1 (0.58) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL16201494 0.83 MEN1 (0.58) KMT2AMEN1RAB9ANPC1L3MBTL1

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 2 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

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 KMT2A 896/4885MEN1 696/4885RAB9A 2549/4885
US-20180111887-A1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, CRY2 KMT2A 896/4885MEN1 696/4885RAB9A 2549/4885

“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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