SCHEMBL10000561

SCHEMBL10000561

Cc1c(-c2ncccc2C(=O)O)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MYC P01106 1/20 0.44
DHODH Q02127 5/20 0.44
WDR5 P61964 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
LDHA P00338 1/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CDC25B P30305 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL10000600 0.86 KDM4E (0.51) KDM4ETDP1MYCDHODHALDH1A1
SCHEMBL10027756 0.83 KDM4E (0.50) KDM4ETDP1NR4A1NR4A2NR4A3
SCHEMBL14936823 0.82 KDM4E (0.61) KDM4ETDP1NR4A1NR4A2NR4A3
SCHEMBL10000579 0.79 CAMKK2 (0.43) KDM4ENR4A1NR4A2NR4A3DHODH
SCHEMBL10000574 0.77 NPC1 (0.48) KDM4ENR4A1NR4A2NR4A3DHODH
SCHEMBL10000544 0.76 KDM4E (0.65) KDM4ETDP1MYCDHODHALDH1A1
SCHEMBL9265839 0.75 KDM4E (0.74) KDM4ETDP1MYCDHODHALDH1A1
SCHEMBL10000567 0.75 PDE10A (0.43) KDM4EDHODHALDH1A1HPGDTSHR
SCHEMBL17162948 0.74 SMN1; SMN2 (0.58) KDM4ETDP1MYCDHODHALDH1A1
SCHEMBL248146 0.73 WDR5 (0.66) KDM4ENR4A1NR4A2NR4A3WDR5

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 KDM4E 3600/4885TDP1 2966/4885NR4A1 603/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 KDM4E 3600/4885TDP1 2966/4885NR4A1 603/4885

“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.