SCHEMBL29149100

SCHEMBL29149100

COc1cc(C(=O)CC(=O)c2ccccc2O)cc(OC)c1C(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.70
MEN1 O00255 9/20 0.70
MAPT P10636 8/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
ALDH1A1 P00352 3/20 0.70
GAA P10253 1/20 0.70
NPC1 O15118 11/20 0.59
IDO1 P14902 2/20 0.53
TDO2 P48775 2/20 0.53
RAB9A P51151 7/20 0.50
ALOX12 P18054 4/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 4/20 0.50
TP53 P04637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HTT P42858 5/20 0.49
TSHR P16473 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.46

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
SCHEMBL31556010 0.87 KMT2A (0.67) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9530950 0.85 KMT2A (0.75) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31555998 0.85 KMT2A (0.74) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29149105 0.84 KMT2A (0.73) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29149141 0.81 MEN1 (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29149126 0.79 PTGS2 (0.48) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7131385 0.78 IDO1 (0.75) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7368151 0.77 ALDH1A1 (0.62) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL312917 0.75 NPC1 (1.00) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29114174 0.73 MAPT (0.74) MAPTALDH1A1LMNACASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029153-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2026-05-12 CN disclosed
WO-2025082312-A1 AROMATIC HYDROCARBON RECEPTOR MODULATOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 德明药泰生物技术(深圳)有限公司 2025-04-24 WO disclosed
CN-117447402-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2024-01-26 CN disclosed