SCHEMBL14073397

SCHEMBL14073397

CC1(C)c2cc(C(=O)c3cccc4ccccc34)ccc2-c2cc3c(cc21)-c1ccc(C(=O)c2cccc4ccccc24)cc1C3(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.45
▸ CNR1 P21554 2/20 0.45
▸ CDC25B P30305 2/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ BCL2 P10415 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ BAD Q92934 1/20 0.43
▸ H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ NR4A1 P22736 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16421541 0.84 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.35) CNR2CNR1CDC25BPLK1BCL2
SCHEMBL13285166 0.83 ENPP2 (0.37) CNR2CNR1CDC25BBCL2MCL1
SCHEMBL12116393 0.83 BCL2 (0.39) CNR2CNR1CDC25BBCL2MCL1
SCHEMBL14073402 0.80 HSD17B14 (0.48) CNR2CNR1MEN1KMT2AMAPT
SCHEMBL14073415 0.80 ALDH1A1 (0.37) MAPTHTTNPSR1HDAC8
SCHEMBL1638586 0.80 CYP2C8 (0.43) CNR2CDC25BMEN1KMT2AMAPT
SCHEMBL13045515 0.78 PDK2 (0.52) —
SCHEMBL13423253 0.78 BCL2 (0.44) CNR2CNR1CDC25BPLK1BCL2
SCHEMBL17084377 0.78 CNR2 (0.47) CNR2CNR1CDC25BBCL2MCL1
SCHEMBL2606548 0.76 PDK2 (0.43) CNR2MEN1KMT2ATDP1L3MBTL1

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
EP-1883688-B1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-11 — — EP disclosed
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 — — US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 — — US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 — — US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 — — US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 — — US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 — — 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-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices TYR, DDT, PAH CNR2 2544/4885CNR1 2403/4885CDC25B 3489/4885
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES TYR, TOE1, GPX1 CNR2 3944/4885CNR1 3233/4885CDC25B 2751/4885

“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.

Send feedback