SCHEMBL14073414

SCHEMBL14073414

CC1(C)c2cc(C(=O)c3cccc4nccnc34)ccc2-c2cc3c(cc21)-c1ccc(C(=O)c2cccc4nccnc24)cc1C3(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32
▸ PKLR P30613 2/20 0.32
▸ MGLL Q99685 2/20 0.32
▸ AURKA O14965 1/20 0.32

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
SCHEMBL14073415 0.81 ALDH1A1 (0.37) MAPTHSD17B10HDAC6ALDH1A1NPSR1
SCHEMBL2603506 0.77 MAPT (0.33) MAPTHSD17B10LMNAESR1ALDH1A1
SCHEMBL14073397 0.74 CNR2 (0.45) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL1638586 0.73 CYP2C8 (0.43) MAPTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL13045515 0.71 PDK2 (0.52) PDK2
SCHEMBL14073388 0.71 CNR2 (0.50) LMNAHDAC6MEN1KMT2AHPGD
SCHEMBL2603505 0.69 MAPT (0.35) MAPTHSD17B10LMNAESR1MEN1
SCHEMBL21025032 0.69 ALDH1A1 (0.47) HSD17B10ALDH1A1HTTPDK2
SCHEMBL2381120 0.69 CDC25B (0.55) HSD17B10LMNAALDH1A1GAAKDM4E
SCHEMBL1637360 0.68 ALDH1A1 (0.53) MAPTLMNAALDH1A1GAAHTT

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 9 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-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-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 MAPT 915/4885HSD17B10 1643/4885LMNA 2041/4885
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES TYR, TOE1, GPX1 MAPT 589/4885HSD17B10 2551/4885LMNA 3174/4885

“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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