SCHEMBL24401606

SCHEMBL24401606

CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc4c(=O)c5ccccc5sc4cc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PMM2 O15305 1/20 0.32
MPI P34949 1/20 0.32
PHOSPHO1 Q8TCT1 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
TNKS O95271 1/20 0.31

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
SCHEMBL24401603 0.96 KDM4E (0.33) KDM4ENPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24401625 0.96 ALDH1A1 (0.35) KDM4ENPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24401602 0.90 KDM4E (0.39) KDM4ENPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24401660 0.89 KDM4E (0.34) KDM4ENPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24401601 0.89 ALDH1A1 (0.37) KDM4ENPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24401655 0.88 ALDH1A1 (0.33) KDM4ENPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24401427 0.86 KDM4E (0.39) KDM4ENPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24401433 0.85 ALDH1A1 (0.37) KDM4ENPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL24401654 0.83 NPC1 (0.31) NPC1ALDH1A1RAB9AL3MBTL1PLA2G1B
SCHEMBL24401653 0.83 KDM4E (0.36) KDM4ENPC1ALDH1A1RAB9AL3MBTL1

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-20220140249-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2022-05-05 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-20220140249-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CDYL, MRPL38, CDYL2 KDM4E 3526/4885NPC1 4043/4885ALDH1A1 1697/4885

“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.