SCHEMBL21808487

SCHEMBL21808487

CCCCc1ccc(-c2ccc3c(c2)C(CC)(CC)c2cc(Br)ccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
NFKB1 P19838 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RARB P10826 10/20 0.39
EIF4A1 P60842 2/20 0.38
MPL P40238 2/20 0.36
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SKP2 Q13309 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL14508375 0.85 PDK2 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9897097 0.80 RAB9A (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL28895079 0.79 NPC1 (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL30836950 0.79 NPC1 (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL29514438 0.79 PDK2 (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL1086094 0.79 PDK2 (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL429934 0.79 PDK2 (0.45)
SCHEMBL16358511 0.78 PDK2 (0.33)
SCHEMBL9898371 0.78 RAB9A (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL20233482 0.78 RARB (0.40) NPC1NFKB1RAB9ANFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145898-B2 Compound, composition comprising same, and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2024-11-19 US disclosed
US-20210253512-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-08-19 US disclosed
CN-112236410-A Compound, composition comprising the same, and organic light emitting diode comprising the same 株式会社LG化学 2021-01-15 CN disclosed
WO-2020060271-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-03-26 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 (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-12145898-B2 Compound, composition comprising same, and organic light emitting diode comprising same CRY1, SEM1, NOTUM NPC1 1674/4885NFKB1 1328/4885RAB9A 3513/4885
US-20210253512-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, SEM1, NOTUM NPC1 1674/4885NFKB1 1328/4885RAB9A 3513/4885

“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.