SCHEMBL22644205

SCHEMBL22644205

Cc1ccc2c(c1)OCc1c-2ccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP19A1 P11511 1/20 0.38
MMP12 P39900 1/20 0.36
MAOB P27338 6/20 0.36
KCNJ1 P48048 1/20 0.35
TERT O14746 1/20 0.35
DHODH Q02127 1/20 0.34
NR3C2 P08235 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2708372 0.78 CYP19A1 (0.41) CYP19A1MMP12MAOBTERTNPC1
SCHEMBL14985628 0.77 KDM4E (0.39) PGRCYP19A1MMP12MAOBDHODH
SCHEMBL803200 0.74 ESR1 (0.62) PGRESR1ESR2KCNJ1POLB
SCHEMBL13924665 0.74 CYP19A1 (0.39) PGRCYP19A1MMP12MAOBTERT
SCHEMBL19197254 0.74 CYP19A1 (0.44) PGRESR1ESR2CYP19A1MMP12
SCHEMBL16369469 0.73 CYP19A1 (0.46) CYP19A1MAOBMAPTNPC1
SCHEMBL2756468 0.72 LMNA (0.35) PGRCYP19A1DHODHMAPT
SCHEMBL2756745 0.72 LMNA (0.41) CYP19A1MAOB
SCHEMBL25613826 0.71 MAPT (0.53) CYP19A1MAPTNPC1
SCHEMBL15430125 0.71 HTR2B (0.43) PGRCYP19A1MAOBTERTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966871-B1 DIAMONDOID COMPOUNDS MERCK PATENT GMBH (DE) 2023-05-03 EP disclosed
EP-4102571-A1 ELECTRONIC ELEMENT COMPRISING A PLURALITY OF CELLS ARRANGED IN A THREE DIMENSIONAL ARRAY OF CELLS AND METHOD FOR PRODUCING SUCH AN ELECTRONIC DEVICE Merck Patent GmbH (DE) 2022-12-14 EP disclosed
EP-3481916-B1 ELECTRONIC SWITCH MERCK PATENT GMBH (DE) 2021-11-03 EP disclosed
EP-3813135-A1 TWO BIT MEMORY DEVICE AND METHOD FOR OPERATING THE TWO-BIT MEMORY DEVICE AND ELECTRONIC COMPONENT Merck Patent GmbH (DE) 2021-04-28 EP disclosed
EP-3813132-A1 ELECTRONIC SWITCHING DEVICE Merck Patent GmbH (DE) 2021-04-28 EP disclosed
WO-2020225270-A1 DIAMONDOID COMPOUNDS MERCK PATENT GMBH (DE) 2020-11-12 WO disclosed