SCHEMBL9890516

SCHEMBL9890516

c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3cc4oc5ccc(-c6cc(-c7ccc8oc9cc%10oc%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11c%10cc9c8c7)c(-c7ccc8oc9cc%10oc%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11c%10cc9c8c7)cc6-c6ccc7oc8cc9oc%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10c9cc8c7c6)cc5c4cc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.35
HPGD P15428 3/20 0.34
AHR P35869 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CHRNA7 P36544 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC4 P56524 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
SCHEMBL9890255 0.96 KDM4E (0.40) KDM4EATML3MBTL1HPGDAHR
SCHEMBL9890367 0.93 KDM4E (0.42) KDM4EATML3MBTL1MAOAHPGD
SCHEMBL15965698 0.92 MAPT (0.41) KDM4EATML3MBTL1MAOAHPGD
SCHEMBL9890366 0.92 KDM4E (0.41) KDM4EATML3MBTL1MAOAHPGD
SCHEMBL9890631 0.90 KDM4E (0.40) KDM4EATML3MBTL1HPGDMEN1
SCHEMBL9890371 0.90 KDM4E (0.40) KDM4EATML3MBTL1MAOAHPGD
SCHEMBL9890335 0.90 MAPT (0.41) KDM4EATML3MBTL1MAOAHPGD
SCHEMBL15965723 0.90 KDM4E (0.42) KDM4EATML3MBTL1MAOAHPGD
SCHEMBL9890313 0.90 KDM4E (0.47) KDM4EATML3MBTL1MAOAHPGD
SCHEMBL9890336 0.89 KDM4E (0.42) KDM4EATML3MBTL1MAOAHPGD

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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-01-21 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 KDM4E 990/4885ATM 3103/4885L3MBTL1 709/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 KDM4E 990/4885ATM 3103/4885L3MBTL1 709/4885

“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.