SCHEMBL21085246

SCHEMBL21085246

CC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MEN1 O00255 1/20 0.40
NR2F2 P24468 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 1/20 0.39

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
SCHEMBL13370907 0.89 PDK2 (0.39) PDK2NPC1RAB9AALDH1A1PLA2G1B
SCHEMBL30009790 0.88 PDK2 (0.50) PDK2
SCHEMBL12378991 0.87 PDK2 (0.37) PDK2NPC1RAB9AMEN1NR2F2
SCHEMBL13338561 0.87 NPC1 (0.38) PDK2NPC1RAB9AALDH1A1PLA2G1B
SCHEMBL12378986 0.87 PDK2 (0.37) PDK2NPC1RAB9AMEN1NR2F2
SCHEMBL13278527 0.86 ALDH1A1 (0.50) PDK2NPC1RAB9AALDH1A1PLA2G1B
SCHEMBL19735269 0.86 PDK2 (0.41) PDK2NPC1RAB9AALDH1A1MEN1
SCHEMBL1649136 0.86 PDK2 (0.47) PDK2
SCHEMBL12378944 0.85 PDK2 (0.35) PDK2NPC1RAB9AALDH1A1PLA2G1B
SCHEMBL12378974 0.85 PDK2 (0.40) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169176-A1 NOVEL AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2019-06-06 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 (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-20190169176-A1 NOVEL AMINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME ASIC1, TMEM109, AOC2 PDK2 2056/4885NPC1 1908/4885RAB9A 1375/4885

“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.