SCHEMBL10000552

SCHEMBL10000552

Cc1cccc2c1-c1ncc3ccccc3c1C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PDK2 Q15119 2/20 0.37
AKT1 P31749 1/20 0.35
KDM4E B2RXH2 4/20 0.35
GPR3 P46089 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.33
FGFR1 P11362 1/20 0.32
CYP1A2 P05177 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10000548 0.84 CYP1A2 (0.37) MEN1KMT2AALDH1A1PDK2AKT1
SCHEMBL10028042 0.82 MAPT (0.41) MEN1KMT2AALDH1A1PDK2MAPT
SCHEMBL21226337 0.80 KDM4E (0.38) CYP2A6MEN1KMT2APDK2AKT1
SCHEMBL10000564 0.80 MEN1 (0.36) CYP2A6MEN1KMT2AALDH1A1PDK2
SCHEMBL24349334 0.79 KDM4E (0.37) CYP2A6MEN1KMT2AALDH1A1PDK2
SCHEMBL26710654 0.78 PDK2 (0.34) MEN1KMT2APDK2AKT1CYP1A2
SCHEMBL10000568 0.76 NQO1 (0.35) MEN1KMT2AAKT1KDM4EGPR3
SCHEMBL10000588 0.75 CA12 (0.43) CYP2A6ALDH1A1PDK2KDM4EMAPT
SCHEMBL24621543 0.74 MEN1 (0.33) MEN1KMT2APDK2KDM4EGPR3
SCHEMBL10027989 0.74 CTDSP1 (0.38) MEN1KMT2AALDH1A1PDK2KDM4E

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 3 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-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

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 CYP2A6 501/4885MEN1 123/4885KMT2A 1392/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CYP2A6 501/4885MEN1 123/4885KMT2A 1392/4885

“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.