SCHEMBL29853707

SCHEMBL29853707

CC(C)(C)c1ccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.49
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ OPRD1 P41143 1/20 0.37
▸ MAPK14 Q16539 2/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ABCG2 Q9UNQ0 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
SCHEMBL30935419 1.00 PDK2 (0.49) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL16596687 1.00 PDK2 (0.49) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL20279810 0.92 PDK2 (0.41) PDK2NPC1RAB9AOPRD1MAPK14
SCHEMBL14681502 0.91 PDK2 (0.43) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL30056023 0.91 PDK2 (0.43) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL20196495 0.89 PDK2 (0.47) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL26411258 0.89 PDK2 (0.50) PDK2ALDH1A1L3MBTL1MAPK14MEN1
SCHEMBL29706077 0.89 PDK2 (0.47) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL24969208 0.88 PDK2 (0.49) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL22870486 0.88 PDK2 (0.44) PDK2NPC1ALDH1A1PLA2G1BNFKB1

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-12563966-B2 Heterocyclic compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2026-02-24 — — US disclosed
EP-4519383-B1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2026-01-14 — — EP disclosed
US-20250295028-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-09-18 — — US disclosed
CN-113795496-B Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2024-03-19 — — CN disclosed
CN-111868028-B Amine compound and organic light emitting device comprising the same 株式会社LG化学 2023-12-08 — — CN disclosed
CN-112912365-B Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2023-09-12 — — CN disclosed
CN-112334474-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-07-21 — — CN disclosed
US-20220255012-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2022-08-11 — — 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 (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-20250295028-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES VDAC2, VDAC3, CYCS PDK2 498/4885NPC1 3775/4885ALDH1A1 484/4885
US-20220255012-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CCNL2, HBS1L, AHR PDK2 3798/4885NPC1 1634/4885ALDH1A1 319/4885
US-12563966-B2 Heterocyclic compound and organic light emitting device comprising same CCNL2, GNA11, HBS1L PDK2 3504/4885NPC1 1356/4885ALDH1A1 181/4885

“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