SCHEMBL13423253

SCHEMBL13423253

O=C(c1ccc2c(c1)[C@]1(c3ccccc3-2)c2ccccc2-c2c1c1c(c3c2[C@@]2(c4ccccc4-c4ccc(C(=O)c5cccc6ccccc56)cc42)c2ccccc2-3)[C@@]2(c3ccccc3-c3ccc(C(=O)c4cccc5ccccc45)cc32)c2ccccc2-1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ BAD Q92934 1/20 0.44
▸ CDC25B P30305 1/20 0.41
▸ H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ CNR2 P34972 9/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ NR4A3 Q92570 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL14096678 0.89 BCL2L1 (0.42) BCL2MCL1BADCDC25BH4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL13423240 0.84 PDK2 (0.50) PDK2TDP1L3MBTL1
SCHEMBL13423255 0.84 PDK2 (0.43) CDC25BPDK2MEN1KMT2AMAPT
SCHEMBL13423248 0.84 PDK2 (0.43) CDC25BPDK2MEN1KMT2AMAPT
SCHEMBL13423247 0.84 PDK2 (0.43) PDK2MEN1KMT2AMAPTTDP1
SCHEMBL13423239 0.81 PDK2 (0.48) PDK2TDP1L3MBTL1
SCHEMBL13423252 0.81 PDK2 (0.58) CNR2PDK2MEN1KMT2ATDP1
SCHEMBL13423232 0.81 PDK2 (0.58) CNR2PDK2MEN1KMT2ATDP1
SCHEMBL13423257 0.81 PDK2 (0.58) CNR2PDK2MEN1KMT2ATDP1
SCHEMBL13781074 0.81 BCL2 (0.41) BCL2MCL1BADCDC25BH4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683229-B2 truxene and isotruxene derivatives, in particular spirotruxene and spiroisotruxene derivatives; use thereof in organic electronic devices, in particular organic electroluminescent devices MERCK PATENT GMBH (DE) 2010-03-23 — — US disclosed
US-20080093980-A1 Organic Electroluminescent Device MERCK PATENT GMBH (DE) 2008-04-24 — — 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-20080093980-A1 Organic Electroluminescent Device OXER1, NR3C2, OXTR BCL2 1953/4885MCL1 4560/4885BAD 1057/4885

“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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