SCHEMBL10034245

SCHEMBL10034245

[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c4ccc5c(Br)ccc6ccc(cc32)c4c65)c([2H])c1[2H]

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10034238 0.86 L3MBTL1 (0.46) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL2601571 0.86 L3MBTL1 (0.46) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL2601583 0.78 ERBB2 (0.33) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL10034167 0.77 — —
SCHEMBL2601544 0.77 — —
SCHEMBL16574529 0.75 L3MBTL1 (0.57) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL10034251 0.74 LDHA (0.32) KDM4EATML3MBTL1
SCHEMBL2601605 0.74 LDHA (0.32) —
SCHEMBL14706843 0.73 L3MBTL1 (0.50) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL14329575 0.72 KDM4E (0.31) KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455867-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-04 — — US disclosed
US-8431251-B2 Heterocyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-04-30 — — US disclosed
US-8405074-B2 — — 2013-03-26 — — US disclosed
US-20130001524-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 — — US disclosed
US-20120097924-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 — — 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-20130001524-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME C9, C1S, C5 ERBB2 3324/4885CYP1A2 315/4885FYN 4427/4885
US-20120097924-A1 ORGANIC LIGHT-EMITTING DEVICE KCNT1, KCNA1, TRPA1 ERBB2 3450/4885CYP1A2 336/4885FYN 3555/4885

“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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