SCHEMBL20125800

SCHEMBL20125800

CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)nn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR3 P46089 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL15183309 0.94 KDM4E (0.34) KDM4EATML3MBTL1GPR3POLB
SCHEMBL13233396 0.83 KDM4E (0.52) KDM4EATML3MBTL1GPR3POLB
SCHEMBL20081721 0.77
SCHEMBL23011235 0.76 KDM4E (0.38) KDM4EATML3MBTL1GPR3POLB
SCHEMBL13233395 0.73 ALDH1A1 (0.46) KDM4EATML3MBTL1LMNAHTT
SCHEMBL23051500 0.72 KDM4E (0.35) KDM4EATML3MBTL1GPR3POLB
SCHEMBL24285702 0.72 KDM4E (0.43) KDM4EATML3MBTL1GPR3POLB
SCHEMBL23011291 0.71 KDM4E (0.37) KDM4EATML3MBTL1GPR3POLB
SCHEMBL22852984 0.70 KDM4E (0.39) KDM4EATML3MBTL1GPR3POLB
SCHEMBL22852987 0.70 KDM4E (0.39) KDM4EATML3MBTL1GPR3POLB

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-10573827-B2 Organic metal complex, and polymer, mixture, composition and organic electronic device containing same and use thereof GUANGZHOU CHINARAY OPTOELECTRONICS MATERIALS LTD. (CN) 2020-02-25 US disclosed
US-20180130961-A1 ORGANIC METAL COMPLEX, AND POLYMER, MIXTURE, COMPOSITION AND ORGANIC ELECTRONIC DEVICE CONTAINING SAME AND USE THEREOF GUANGZHOU CHINARAY OPTOELECTRONICS MATERIALS LTD. (CN) 2018-05-10 US disclosed
US-20180130961-A1 ORGANIC METAL COMPLEX, AND POLYMER, MIXTURE, COMPOSITION AND ORGANIC ELECTRONIC DEVICE CONTAINING SAME AND USE THEREOF GUANGZHOU CHINARAY OPTOELECTRONICS MATERIALS LTD. (CN) 2018-05-10 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-10573827-B2 Organic metal complex, and polymer, mixture, composition and organic electronic device containing same and use thereof OCIAD1, OCIAD2, SEM1 KDM4E 3335/4885ATM 3210/4885L3MBTL1 2745/4885
US-20180130961-A1 ORGANIC METAL COMPLEX, AND POLYMER, MIXTURE, COMPOSITION AND ORGANIC ELECTRONIC DEVICE CONTAINING SAME AND USE THEREOF OCIAD1, OCIAD2, SEM1 KDM4E 3335/4885ATM 3210/4885L3MBTL1 2745/4885

“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.