SCHEMBL12811692

SCHEMBL12811692

Nc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ KAT8 Q9H7Z6 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ HDAC4 P56524 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ BLM P54132 1/20 0.31

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
SCHEMBL14039112 0.96 KDM4E (0.37) KDM4EATML3MBTL1BRD4IDO1
SCHEMBL14039079 0.85 KDM4E (0.36) KDM4EATML3MBTL1IDO1HDAC3
SCHEMBL28446443 0.82 KDM4E (0.52) KDM4EATML3MBTL1IDO1HDAC4
SCHEMBL12811693 0.80 CTSB (0.42) KDM4EL3MBTL1BRD4IDO1MEN1
SCHEMBL12811684 0.76 CTSB (0.43) KDM4EL3MBTL1BRD4IDO1MEN1
SCHEMBL16521581 0.76 KDM4E (0.48) KDM4EATML3MBTL1IDO1HDAC3
SCHEMBL21524840 0.76 KDM4E (0.48) KDM4EATML3MBTL1IDO1HDAC3
SCHEMBL24777362 0.73 KDM4E (0.50) KDM4EATML3MBTL1BRD4HDAC4
SCHEMBL30389001 0.72 KDM4E (0.42) KDM4EATML3MBTL1HDAC4MEN1
SCHEMBL12754467 0.72 KDM4E (0.52) KDM4EATML3MBTL1HDAC4MEN1

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 5 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
EP-2301921-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2011-03-30 — — EP 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 (1 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

“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.

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