SCHEMBL13557602

SCHEMBL13557602

CC1(C)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSPO P30536 2/20 0.36
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ EDNRA P25101 2/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ RAC2 P15153 1/20 0.31
▸ RAC3 P60763 1/20 0.31
▸ CDC42 P60953 1/20 0.31
▸ RAC1 P63000 1/20 0.31
▸ EDNRB P24530 1/20 0.30
▸ NPY5R Q15761 1/20 0.30
▸ AKR1C4 P17516 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ AKR1C1 Q04828 1/20 0.30
▸ DNM1 Q05193 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
SCHEMBL2455750 0.99 L3MBTL1 (0.40) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL13557757 0.98 KDM4E (0.41) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL10309962 0.98 KDM4E (0.41) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL13557747 0.98 KDM4E (0.41) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL13557752 0.98 KDM4E (0.41) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL13557758 0.97 KDM4E (0.42) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL13557753 0.97 KDM4E (0.42) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL2452400 0.96 L3MBTL1 (0.41) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL20232361 0.95 HDAC4 (0.40) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL10331684 0.95 KDM4E (0.43) HDAC4KDM4EATML3MBTL1TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9882144-B2 Organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-01-30 — — US disclosed
US-9882144-B2 Organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-01-30 — — US disclosed
US-20160197287-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
US-20160197287-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
US-9082986-B2 Organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 — — US disclosed
US-9082986-B2 Organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 — — US disclosed
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — 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-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, ODC1, TYR HDAC4 2016/4885KDM4E 1308/4885ATM 1515/4885
US-20160197287-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AOC2, AZI2, RER1 HDAC4 3516/4885KDM4E 2736/4885ATM 3725/4885

“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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