SCHEMBL15028115

SCHEMBL15028115

COc1cc(C)nc2c1ccc1c(OC)cc(C)nc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CRHR1 P34998 2/20 0.53
ADORA1 P30542 1/20 0.44
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
DOT1L Q8TEK3 1/20 0.42
DHFR P00374 1/20 0.41
TERT O14746 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TSHR P16473 2/20 0.39
NQO1 P15559 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GFER P55789 1/20 0.38

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
SCHEMBL31290693 1.00 MAPT (0.53) MAPTCRHR1ADORA1CYP1A2KMT2A
SCHEMBL17911945 0.88 CRHR1 (0.45) MAPTCRHR1ADORA1DHFRKDM4E
SCHEMBL9890979 0.87 LMNA (0.55) MAPTCRHR1ADORA1CYP1A2KMT2A
SCHEMBL15886690 0.84 CCR1 (0.50) MAPTCRHR1ADORA1KMT2ALMNA
SCHEMBL26766431 0.84 CRHR1 (0.58) MAPTCRHR1LMNAKDM4EALDH1A1
SCHEMBL9605485 0.84 MAPT (0.47) MAPTCRHR1ADORA1CYP1A2KMT2A
SCHEMBL2875528 0.80 CRHR1 (0.55) MAPTCRHR1CYP1A2KMT2ALMNA
SCHEMBL13201608 0.80 CRHR1 (0.45) MAPTCRHR1ADORA1CYP1A2DOT1L
SCHEMBL29555308 0.80 CRHR1 (0.55) MAPTCRHR1CYP1A2KMT2ALMNA
SCHEMBL11619165 0.80 KDM4E (0.65) MAPTCRHR1KMT2ADHFRLMNA

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-4169924-A2 SYNTHESIS OF HALICHONDRINS President And Fellows Of Harvard College (US) 2023-04-26 EP disclosed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP disclosed
WO-2016176560-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-03 WO disclosed
EP-2595997-B1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2015-09-16 EP disclosed
US-9024026-B2 Copper (I) complexes for optoelectronic devices CYNORA GMBH (DE) 2015-05-05 US disclosed
WO-2014108430-A1 THERMALLY ACTIVATED FLUORESCENCE AND SINGLET HARVESTING WITH RIGID METAL COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2014-07-17 WO disclosed
US-20130150581-A1 COPPER (I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2013-06-13 US disclosed