SCHEMBL2603611

SCHEMBL2603611

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2cccc(C(=O)c3ccccc3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ PDK2 Q15119 6/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ FOLH1 Q04609 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ ATM Q13315 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MYC P01106 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSPA1A P0DMV8 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ PTPN7 P35236 1/20 0.33

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
SCHEMBL2603601 0.98 CNR2 (0.38) CNR2CNR1PDK2KDM4EALDH1A1
SCHEMBL783103 0.97 CNR2 (0.36) CNR2CNR1PDK2KDM4EALDH1A1
SCHEMBL782757 0.95 PDK2 (0.35) CNR2CNR1PDK2KDM4EALDH1A1
SCHEMBL17245601 0.90 ATM (0.40) PDK2KDM4EALDH1A1PKML3MBTL1
SCHEMBL2603612 0.88 PDK2 (0.36) CNR2CNR1PDK2ALDH1A1L3MBTL1
SCHEMBL17245599 0.87 ATM (0.38) KDM4EALDH1A1PKML3MBTL1ATM
SCHEMBL782532 0.87 PDK2 (0.37) CNR2CNR1PDK2KDM4EALDH1A1
SCHEMBL14345114 0.87 CNR2 (0.40) CNR2CNR1PDK2KDM4EALDH1A1
SCHEMBL17245627 0.86 L3MBTL1 (0.40) KDM4EALDH1A1L3MBTL1ATMMEN1
SCHEMBL19653649 0.86 KDM4E (0.37) PDK2KDM4EL3MBTL1ATMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 — — US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 — — US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 — — US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 — — 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 (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-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, ICMT, NUDC CNR2 3952/4885CNR1 4446/4885PDK2 1197/4885

“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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