SCHEMBL16692136

SCHEMBL16692136

CC(C)n1c(-c2ccc(-c3ccc4ccc(-c5ccc(-c6nc7ccccc7n6C(C)C)cc5)cc4c3)cc2)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
KDM4E B2RXH2 6/20 0.66
HSD17B10 Q99714 5/20 0.66
HPGD P15428 4/20 0.66
LMNA P02545 4/20 0.66
TP53 P04637 4/20 0.66
RAB9A P51151 4/20 0.66
MAPT P10636 2/20 0.66
ALPG P10696 1/20 0.66
RPS6KB1 P23443 1/20 0.49
GSK3B P49841 1/20 0.49
ROCK1 Q13464 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45

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
SCHEMBL2607467 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL16692235 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL27952100 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL13784141 0.81 KDM4E (0.64) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL22507271 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL16692123 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL16692135 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL16692138 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL12387034 0.79 KDM4E (0.66) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL22513557 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11342508-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2022-05-24 US disclosed
EP-2749560-B1 Novel nitrogen-containing heterocyclic compounds and organic electronic device using same LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
EP-3434670-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG Chem, Ltd. (KR) 2019-01-30 EP disclosed
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-9666812-B2 Nitrogen-containing heterocyclic compound and organic electronic device using same LG CHEM, LTD. (KR) 2017-05-30 US disclosed
US-9666812-B2 Nitrogen-containing heterocyclic compound and organic electronic device using same LG CHEM, LTD. (KR) 2017-05-30 US disclosed
US-20150123089-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2015-05-07 US disclosed
US-20150123089-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2015-05-07 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 (3 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-20150123089-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME ODC1, OR10J3, NPM1 ALDH1A1 2965/4885KDM4E 740/4885HSD17B10 4111/4885
US-11342508-B2 Organic light-emitting device CRY1, CRY2, NR2E3 ALDH1A1 103/4885KDM4E 2028/4885HSD17B10 2607/4885
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, NR2E3 ALDH1A1 103/4885KDM4E 2028/4885HSD17B10 2607/4885

“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.