SCHEMBL31258388

SCHEMBL31258388

CC(C)(C)OC(=O)C(C)(C)Oc1cccc(Br)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
PPARA Q07869 3/20 0.33
ABCB11 O95342 2/20 0.33
TSHR P16473 2/20 0.33
HTR2A P28223 2/20 0.33
PMP22 Q01453 2/20 0.33
FBP1 P09467 1/20 0.32
MAPT P10636 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 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
SCHEMBL23124488 0.82 KDM4E (0.37) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL31258375 0.76 NOX1 (0.41) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL30093499 0.73 FBP1 (0.41) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL23124788 0.73 FBP1 (0.41) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL28259053 0.72 MEN1 (0.44) MRGPRX4KMT2AMEN1NPC1HTT
SCHEMBL31258385 0.71 PPARA (0.42) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16592987 0.70 CA12 (0.50) MRGPRX4KDM4EALDH1A1KMT2AMEN1
SCHEMBL4576129 0.70 CYP1A2 (0.41) MRGPRX4KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL30609812 0.70 CYP1A2 (0.41) MRGPRX4KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL21723309 0.70 CACNB4 (0.46)

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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION Nantong Jutai Biotech Co., Ltd. (CN) 2024-11-28 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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION BCL9, BCL9L, BCL2L11 MRGPRX4 4195/4885KDM4E 3256/4885ALDH1A1 3559/4885

“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.