SCHEMBL13338563

SCHEMBL13338563

CC(C)N(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
PDK2 Q15119 5/20 0.38
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL13338537 0.88 NPC1 (0.41) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13338421 0.87 PDK2 (0.43) NPC1RAB9AALDH1A1PDK2LMNA
SCHEMBL13338525 0.85 PTPRC (0.39) NPC1RAB9AALDH1A1L3MBTL1PDK2
SCHEMBL13338556 0.84 NPC1 (0.38) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13338692 0.83 PDK2 (0.38) NPC1RAB9AALDH1A1L3MBTL1PDK2
SCHEMBL3283003 0.83 PDK2 (0.41) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12325202 0.83 PDK2 (0.41) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13338557 0.83 NPC1 (0.37) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13367490 0.82 PDK2 (0.53) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13338625 0.82 PDK2 (0.38) NPC1RAB9AALDH1A1PDK2LMNA

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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 NPC1 1433/4885RAB9A 1308/4885CASP3 2517/4885

“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.