SCHEMBL9016228

SCHEMBL9016228

COc1ccc(CCc2cc(OC)cc(=O)o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CALM1 P0DP23 1/20 0.49
DAO P14920 2/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 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
Dihydro-5,6-Dehydrokawain SCHEMBL19679894 0.89 PPARG (0.59) PPARGALDH1A1TP53MAPTHPGD
SCHEMBL19665419 0.85 CALM1 (0.50) ALDH1A1SMN1; SMN2CALM1DAOCYP19A1
SCHEMBL19665514 0.84 AKR1B1 (0.61) HTR2CHTR2B
SCHEMBL19679885 0.82 AKR1B1 (0.38) PPARGALDH1A1TP53MAPTHPGD
SCHEMBL29928731 0.82 PTPN1 (0.59) ALDH1A1CALM1TAAR1NFKB1
SCHEMBL7464294 0.81 CALM1 (0.60) ALDH1A1HPGDSMN1; SMN2CALM1HTR2C
SCHEMBL1264589 0.75 ALDH1A1 (0.45) ALDH1A1TP53MAPTHPGDCASP1
SCHEMBL29128890 0.75 PPARG (0.85) PPARGALDH1A1TP53MAPTHPGD
SCHEMBL30632228 0.75 PPARG (0.85) PPARGALDH1A1TP53MAPTHPGD
SCHEMBL10337853 0.74 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229639-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS Global Biopharma, Inc. (CA) 2023-08-23 EP claimed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO claimed
EP-4702039-A1 METHOD OF PRODUCING STYRYLPYRONES AND CHALCONES Nicoventures Trading Limited (GB) 2026-03-04 EP disclosed
WO-2024224080-A1 METHOD OF PRODUCING STYRYLPYRONES AND CHALCONES Nicoventures Trading Limited (GB) 2024-10-31 WO disclosed
EP-4195941-A1 IMMUNOMODULATION FORMULATIONS AND RELATED METHODS Vickers, Alexander (US) 2023-06-21 EP disclosed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO disclosed
US-5585386-A MIXTURES FOR APPLICATION TO SKIN OR SCALP L'OREAL (FR) 1996-12-17 US disclosed