SCHEMBL12116382

SCHEMBL12116382

CC1(C)c2cc(C(=O)c3ccccc3)ccc2-c2cc3c(cc21)c1ccccc1n3-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.43
▸ PDK2 Q15119 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ RORC P51449 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL12117341 0.94 PDK2 (0.43) CNR2PDK2L3MBTL1KDM4EATM
SCHEMBL12116386 0.94 PDK2 (0.43) CNR2PDK2L3MBTL1KDM4EATM
SCHEMBL13780984 0.89 PDK2 (0.40) CNR2PDK2L3MBTL1KDM4EATM
SCHEMBL12117351 0.89 PDK2 (0.42) CNR2PDK2L3MBTL1KDM4EATM
SCHEMBL14681768 0.88 PDK2 (0.46) CNR2PDK2L3MBTL1KDM4EATM
SCHEMBL14345114 0.86 CNR2 (0.40) CNR2PDK2L3MBTL1KDM4EATM
SCHEMBL25147207 0.85 KDM4E (0.56) L3MBTL1KDM4EATMALDH1A1GLA
SCHEMBL2603611 0.85 CNR2 (0.37) CNR2PDK2L3MBTL1KDM4EATM
SCHEMBL2603601 0.85 CNR2 (0.38) CNR2PDK2L3MBTL1KDM4EATM
SCHEMBL14681781 0.84 PDK2 (0.46) CNR2PDK2L3MBTL1KDM4EATM

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-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
US-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
WO-2010083873-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 — — WO 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-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, SLCO2A1, SLCO2B1 CNR2 3592/4885PDK2 3092/4885L3MBTL1 3209/4885

“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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