SCHEMBL21753754

SCHEMBL21753754

CC(C)(C)c1ccc2c(c1)-c1ccccc1[N]2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
PLA2G1B P04054 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
NR1H3 Q13133 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KIF11 P52732 3/20 0.37
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL814080 0.90 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL3877841 0.86 KIF11 (0.43) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL23629575 0.82 KIF11 (0.45) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL28367426 0.81 GPR3 (0.44) ALDH1A1KIF11MAPK1MAPT
SCHEMBL16333367 0.77 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL25485236 0.74 ALDH1A1 (0.69) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL2961621 0.74 KIF11 (0.50) ALDH1A1NPC1RAB9AKIF11LMNA
SCHEMBL2962416 0.74 ELANE (0.47) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL24062 0.73 MEN1 (0.37) ALDH1A1NPC1RAB9APLA2G1BL3MBTL1
SCHEMBL27971780 0.71 MEN1 (0.35) ALDH1A1NPC1RAB9APLA2G1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11937495-B2 Organic light emitting element, composition and membrane KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-03-19 US disclosed
EP-3843168-B1 ORGANIC LIGHT EMITTING ELEMENT, COMPOSITION AND MEMBRANE UNIV KYUSHU NAT UNIV CORP (JP) 2023-10-11 EP disclosed
US-20210202864-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT KYULUX, INC. (JP) 2021-07-01 US disclosed
US-20210202851-A1 ORGANIC LIGHT EMITTING ELEMENT, COMPOSITION AND MEMBRANE KYULUX, INC. (JP) 2021-07-01 US disclosed
EP-3843168-A1 ORGANIC LIGHT EMITTING ELEMENT, COMPOSITION AND MEMBRANE Kyushu University, National University Corporation (JP) 2021-06-30 EP disclosed
EP-3843167-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Kyushu University, National University Corporation (JP) 2021-06-30 EP disclosed
CN-112602206-A Organic electroluminescent element 国立大学法人九州大学 2021-04-02 CN disclosed
CN-112585778-A Organic light-emitting element, composition, and film 国立大学法人九州大学 2021-03-30 CN disclosed
WO-2020039708-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT 国立大学法人九州大学 2020-02-27 WO disclosed
WO-2020039930-A1 ORGANIC LIGHT EMITTING ELEMENT, COMPOSITION AND MEMBRANE 国立大学法人九州大学 2020-02-27 WO 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-11937495-B2 Organic light emitting element, composition and membrane CRY1, INTS9, CYBA ALDH1A1 1140/4885NPC1 1306/4885RAB9A 1343/4885
US-20210202851-A1 ORGANIC LIGHT EMITTING ELEMENT, COMPOSITION AND MEMBRANE CRY1, INTS9, CYBA ALDH1A1 1140/4885NPC1 1306/4885RAB9A 1343/4885
US-20210202864-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT LEF1, EMC1, EEA1 ALDH1A1 157/4885NPC1 1759/4885RAB9A 1666/4885

“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.