SCHEMBL21808461

SCHEMBL21808461

CC(C)(c1ccc(-c2ccc(Br)cc2)cc1)C1(Br)C=CC(c2ccccc2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NR1H4 Q96RI1 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7425487 0.73
SCHEMBL3423875 0.72 ALDH1A1 (0.34) ALDH1A1MAPK1SMN1; SMN2NPC1NFKB1
SCHEMBL29780994 0.72
SCHEMBL29871014 0.71 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2NPC1NFKB1
SCHEMBL6563901 0.71 ALDH1A1 (0.38) ALDH1A1MAPK1SMN1; SMN2NPC1NFKB1
SCHEMBL28443486 0.70 KCNN4 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11364223 0.69 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL31235510 0.68 ALDH1A1 (0.38) ALDH1A1MAPK1SMN1; SMN2NPC1NFKB1
SCHEMBL19856405 0.68 ALDH1A1 (0.35) ALDH1A1MAPK1SMN1; SMN2NPC1NFKB1
SCHEMBL31549865 0.68 LPL (0.34) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A

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 2 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
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 (1 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 ALDH1A1 9/4885MAPK1 1041/4885SMN1; SMN2 2565/4885

“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.