SCHEMBL30705681

SCHEMBL30705681

COc1ccc(Cn2c(=O)c(Br)cc3cc(C)c(OC)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE5A O76074 1/20 0.42
P2RX4 Q99571 1/20 0.42
PDE1B Q01064 4/20 0.42
PDE1A P54750 3/20 0.42
PDE1C Q14123 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GABRA5 P31644 1/20 0.41
CCR2 P41597 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL30705576 0.95 DCTPP1 (0.48) DCTPP1KDM4EALDH1A1MAPTALOX15
SCHEMBL27942329 0.80 P2RX4 (0.56) KDM4EALDH1A1MAPTP2RX4KMT2A
SCHEMBL31475446 0.76 PDE5A (0.50) DCTPP1PDE5AP2RX4PDE1BPDE1A
SCHEMBL31475444 0.76 BTK (0.45) KDM4EALDH1A1MAPTRXFP1PDE5A
SCHEMBL12503177 0.72 GAA (0.55) KDM4EALDH1A1MAPTALOX15KMT2A
SCHEMBL18326374 0.72 HTR2A (0.41) ALDH1A1MAPTRXFP1KMT2AMEN1
SCHEMBL20373568 0.71 MAPT (0.35) ALDH1A1MAPTPDE5APDE1BPDE1A
SCHEMBL24096380 0.70 PDE1A (0.45) DCTPP1KDM4EALDH1A1MAPTP2RX4
SCHEMBL17379900 0.70 MAPK8 (0.46) KDM4EALDH1A1MAPTALOX15RXFP1
SCHEMBL18326379 0.70 P2RX3 (0.40)

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
EP-4539844-A2 COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION Trawsfynydd Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119604290-A Compounds for the treatment of coronavirus infections 特劳斯芬尼德治疗股份有限公司 2025-03-11 CN disclosed
WO-2023245166-A2 COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed