SCHEMBL13852998

SCHEMBL13852998

Cc1cccc(N(c2ccccc2)c2ccc(-c3nc4n(c3-c3ccc(N(c5ccccc5)c5cccc(C)c5)cc3)c3nc(-c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5)c(-c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5)n3c3nc(-c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5)c(-c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5)n43)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.36
▸ AKT1 P31749 2/20 0.35
▸ AKT2 P31751 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL13852973 0.87 ALDH1A1 (0.38) TDP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL12690849 0.81 TDP1 (0.54) TDP1AKT1AKT2MAPTKDM4E
SCHEMBL13017727 0.78 HSD17B1 (0.45) TDP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL3443345 0.78 HSD17B1 (0.45) TDP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL8361114 0.78 HSD17B1 (0.45) TDP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL2929456 0.78 HSD17B1 (0.45) TDP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL13197684 0.78 HSD17B1 (0.45) TDP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL22356719 0.78 HSD17B1 (0.45) TDP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL21922635 0.78 HSD17B1 (0.45) TDP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL5143671 0.78 HSD17B1 (0.45) TDP1MAPTKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8449989-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2013-05-28 — — US disclosed
US-8449989-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2013-05-28 — — US disclosed
US-20090121622-A1 NEW ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD (KR) 2009-05-14 — — US disclosed
US-20090121622-A1 NEW ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD (KR) 2009-05-14 — — US disclosed
US-7455917-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2008-11-25 — — US disclosed
US-7455917-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2008-11-25 — — 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 (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-20090121622-A1 NEW ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LEF1, CYBA, AOX1 TDP1 826/4885AKT1 4181/4885AKT2 4650/4885

“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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