SCHEMBL14073415

SCHEMBL14073415

CC1(C)c2cc(C(=O)c3ccnc4ccccc34)ccc2-c2cc3c(cc21)-c1ccc(C(=O)c2ccnc4ccccc24)cc1C3(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CCR1 P32246 1/20 0.36
▸ CAMKK1 Q8N5S9 1/20 0.35
▸ CAMKK2 Q96RR4 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ DNMT1 P26358 2/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL14073414 0.81 MAPT (0.40) ALDH1A1HTTNPSR1HPGDMAPT
SCHEMBL14073397 0.80 CNR2 (0.45) HTTNPSR1MAPTHDAC8
SCHEMBL13045515 0.74 PDK2 (0.52) PDK2
SCHEMBL17151063 0.74 ALDH1A1 (0.48) ALDH1A1HTTNPSR1HPGDMAPT
SCHEMBL23193358 0.73 NCF1 (0.50) MAPTSMN1; SMN2HDAC6DNMT1HDAC3
SCHEMBL1638586 0.73 CYP2C8 (0.43) ALDH1A1MAPTSMN1; SMN2CYP2C9PDK2
SCHEMBL2606548 0.72 PDK2 (0.43) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL7374498 0.72 GCGR (0.59) ALDH1A1HTTNPSR1HPGDMAPT
SCHEMBL9033128 0.71 NPC1 (0.50) ALDH1A1HTTNPSR1HPGDTACR1
SCHEMBL9886708 0.71 PDK2 (0.55) PDK2

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 ALDH1A1 103/4885HTT 1295/4885NPSR1 2306/4885
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES TYR, TOE1, GPX1 ALDH1A1 58/4885HTT 1570/4885NPSR1 2907/4885

“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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