SCHEMBL12123236

SCHEMBL12123236

Cc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3n2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ APP P05067 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAOA P21397 3/20 0.38
▸ MAOB P27338 3/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL12123243 0.92 KDM4E (0.45) HTTCYP2C9KDM4EATML3MBTL1
SCHEMBL12123240 0.88 L3MBTL1 (0.52) HTTCYP2C9KDM4EATML3MBTL1
SCHEMBL12123233 0.88 L3MBTL1 (0.55) HTTCYP2C9KDM4EATML3MBTL1
SCHEMBL12980058 0.87 HTT (0.47) HTTCYP2C9APPALDH1A1MAPK1
SCHEMBL12980538 0.86 HTT (0.56) HTTCYP2C9KDM4EAPPALDH1A1
SCHEMBL12980914 0.86 HTT (0.56) HTTCYP2C9KDM4EAPPALDH1A1
SCHEMBL12979949 0.86 HTT (0.56) HTTCYP2C9KDM4EAPPALDH1A1
SCHEMBL12345589 0.86 HTT (0.59) HTTCYP2C9KDM4EAPPALDH1A1
SCHEMBL12345585 0.86 ALDH1A1 (0.54) HTTCYP2C9KDM4EAPPALDH1A1
SCHEMBL12123371 0.86 KDM4E (0.39) HTTCYP2C9KDM4EATML3MBTL1

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-8057920-B2 Heterocyclic compound and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-11-15 — — US disclosed
US-8057920-B2 Heterocyclic compound and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-11-15 — — US disclosed
US-7846559-B2 Heterocyclic compound and an organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-12-07 — — US disclosed
US-20090146555-A1 Heterocyclic compound and organic light emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2009-06-11 — — US disclosed
US-20090146555-A1 Heterocyclic compound and organic light emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2009-06-11 — — US disclosed
US-20090128013-A1 Heterocyclic compound and an organic light emitting device comprising the same SAMSUNG SDI CO, LTD (KR) 2009-05-21 — — 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-20090128013-A1 Heterocyclic compound and an organic light emitting device comprising the same CRY1, NR2E3, AR HTT 1202/4885CYP2C9 1007/4885KDM4E 2403/4885
US-20090146555-A1 Heterocyclic compound and organic light emitting device comprising the same TRPC1, TRPC3, TRPC4 HTT 778/4885CYP2C9 559/4885KDM4E 4097/4885

“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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