SCHEMBL16380855

SCHEMBL16380855

COc1ccc2c(c1)Oc1cccc3cccc-2c13

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
MAPK1 P28482 3/20 0.59
ATM Q13315 1/20 0.59
TYMS P04818 1/20 0.46
MAOB P27338 3/20 0.43
TRPA1 O75762 1/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 2/20 0.42
CYP1A1 P04798 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL13959821 0.80 MEN1 (0.43) KDM4EMAOBTRPA1RAB9AMEN1
SCHEMBL16376429 0.79 MAPK1 (0.65) KDM4EMAPK1ATMTYMSMAOB
SCHEMBL26340690 0.78 MAPK1 (0.59) KDM4EMAPK1ATMTYMSTRPA1
SCHEMBL16380854 0.76 MAPK1 (0.49) KDM4EMAPK1ATMTYMSMEN1
SCHEMBL13309031 0.76 MAPK1 (0.71) KDM4EMAPK1ATMTYMSMAOB
SCHEMBL24742252 0.76 MAPK1 (0.65) KDM4EMAPK1ATMTYMSCYP2A6
SCHEMBL16376428 0.76 MAPK1 (0.65) KDM4EMAPK1ATMTYMSMAOB
SCHEMBL17283694 0.76 MAPK1 (0.65) KDM4EMAPK1ATMTYMSCYP3A4
SCHEMBL30005857 0.76 MAPK1 (0.65) KDM4EMAPK1ATMTYMSMEN1
SCHEMBL17283689 0.76 MAPK1 (0.65) KDM4EMAPK1ATMTYMSMEN1

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-10256416-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-09 US disclosed
US-9842995-B2 Amine-based compounds and organic light-emitting devices comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-12 US disclosed
US-9601700-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-21 US disclosed
US-20160149141-A1 AMINE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-26 US disclosed
US-20150069344-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 US disclosed
US-20150001479-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-01-01 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-20160149141-A1 AMINE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES COMPRISING THE SAME AOC3, CHRM1, ARL1 KDM4E 2606/4885MAPK1 1343/4885ATM 364/4885
US-10256416-B2 Compound and organic light-emitting device including the same ALDH1A2, AOX1, OR10J3 KDM4E 2779/4885MAPK1 617/4885ATM 3093/4885

“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.