SCHEMBL2603552

SCHEMBL2603552

CC1(C)c2ccccc2-c2ccc3c4ccc(C(=O)c5cccc6ccccc56)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.38
▸ BCL2 P10415 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ BAD Q92934 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RORC P51449 1/20 0.35
▸ CDC25B P30305 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 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
SCHEMBL2603553 0.92 CNR2 (0.39) CNR2BCL2MCL1BADMEN1
SCHEMBL2603550 0.90 PDK2 (0.39) CNR2MEN1KMT2ATDP1L3MBTL1
SCHEMBL2603516 0.88 CNR2 (0.38) CNR2BCL2MCL1BADMEN1
SCHEMBL16160489 0.85 CNR2 (0.38) CNR2MEN1HTTKMT2ATDP1
SCHEMBL2603527 0.84 DUSP3 (0.36) MAPTTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL2603548 0.84 PDK2 (0.38) CNR2MEN1MAPTKMT2ATDP1
SCHEMBL24995607 0.83 DUSP3 (0.34) —
SCHEMBL18057950 0.83 — —
SCHEMBL18505563 0.83 PDK2 (0.33) —
SCHEMBL16940910 0.82 — —

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-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-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — US disclosed
US-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — 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 3952/4885BCL2 4765/4885MCL1 4722/4885

“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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