SCHEMBL10000602

SCHEMBL10000602

Cc1cc2ccccc2cc1OBO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CYP2A6 P11509 3/20 0.36
CYP1A2 P05177 2/20 0.36
NQO1 P15559 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
NCEH1 Q6PIU2 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL12551000 0.78 TRPM4 (0.39) KDM4EALDH1A1HPGDCDK5CDK5R1
SCHEMBL14134036 0.76 NCEH1 (0.49) KDM4EALDH1A1HPGDCDK5CDK5R1
SCHEMBL26021648 0.76 ALDH1A1 (0.35) KDM4EALDH1A1HPGDCDK5CDK5R1
SCHEMBL20382168 0.74 DRD1 (0.41) ALDH1A1TDP1KMT2AMEN1HTT
SCHEMBL257726 0.74 NQO1 (0.58) KDM4EALDH1A1HPGDCDK5CDK5R1
SCHEMBL31523973 0.74 NQO1 (0.58) KDM4EALDH1A1HPGDCDK5CDK5R1
SCHEMBL9132 0.74 KDM4E (0.46) KDM4EALDH1A1CYP1A2TDP1KMT2A
SCHEMBL10363684 0.73 TLR8 (0.51) KDM4EALDH1A1CYP1A2NQO1TDP1
SCHEMBL25626300 0.73 GPR84 (0.56) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL13696385 0.72 TDP1 (0.41) KDM4EALDH1A1HPGDCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170194571-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 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-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 (3 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 KDM4E 3600/4885ALDH1A1 122/4885HPGD 4367/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 KDM4E 3600/4885ALDH1A1 122/4885HPGD 4367/4885
US-20170194571-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 KDM4E 3545/4885ALDH1A1 237/4885HPGD 1696/4885

“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.