SCHEMBL10000548

SCHEMBL10000548

CC1(C)c2cccc(O)c2-c2ncc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 8/20 0.35
MAPKAPK2 P49137 1/20 0.35
GPR3 P46089 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
AKT1 P31749 1/20 0.32
MAPT P10636 4/20 0.32
MAPK1 P28482 1/20 0.32
GUSB P08236 1/20 0.32
PDK2 Q15119 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 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
SCHEMBL10000552 0.84 CYP2A6 (0.38) CYP1A2KDM4EGPR3KMT2AMEN1
SCHEMBL10000568 0.81 NQO1 (0.35) KDM4EGPR3KMT2AMEN1IDO1
SCHEMBL10028042 0.81 MAPT (0.41) MAPKAPK2KMT2AMEN1MAPTPDK2
SCHEMBL21226337 0.79 KDM4E (0.38) CYP1A2KDM4EGPR3KMT2AMEN1
SCHEMBL24349334 0.78 KDM4E (0.37) CYP1A2KDM4EGPR3KMT2AMEN1
SCHEMBL26710654 0.77 PDK2 (0.34) CYP1A2KMT2AMEN1AKT1PDK2
SCHEMBL10000564 0.76 MEN1 (0.36) CYP1A2KDM4EGPR3KMT2AMEN1
SCHEMBL10000594 0.76 CA12 (0.38) CYP1A2KDM4EKMT2AMEN1IDO1
SCHEMBL24621543 0.73 MEN1 (0.33) KDM4EGPR3KMT2AMEN1MAPT
SCHEMBL10027989 0.73 CTDSP1 (0.38) KDM4EMAPKAPK2GPR3KMT2AMEN1

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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CYP1A2 471/4885KDM4E 3600/4885MAPKAPK2 4260/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CYP1A2 471/4885KDM4E 3600/4885MAPKAPK2 4260/4885

“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.