SCHEMBL21382500

SCHEMBL21382500

CCCCCOc1cc2c(cc1OCCCCC)c1c3nc(-c4ccc(C#N)cc4)oc3c(OCCCCC)c3c4cc(OC)c(OC)cc4c4c(OCCCCC)c(OCCCCC)cc2c4c31

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.38
▸ PRKDC P78527 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SRC P12931 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CHEK1 O14757 2/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX5 P09917 3/20 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
SCHEMBL29765212 0.89 ABCB1 (0.37) PDE10AKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL29307790 0.86 MAPT (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL29307791 0.84 ABCB1 (0.35) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL29307956 0.83 PDE10A (0.42) PDE10APRKDCKDM4EALDH1A1HPGD
SCHEMBL21384684 0.79 PDE3B (0.36) KDM4EALDH1A1SRCMAPTLMNA
SCHEMBL29307864 0.77 PDE10A (0.46) PDE10APRKDCKDM4EALDH1A1HPGD
SCHEMBL29307792 0.75 ALDH1A1 (0.34) KDM4EALDH1A1SRCMAPTLMNA
SCHEMBL21382072 0.74 PDE3B (0.47) SRC
SCHEMBL29909986 0.74 PDE3B (0.47) SRC
SCHEMBL29307776 0.73 MAPT (0.39) KDM4EALDH1A1HPGDMAPTLMNA

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
CN-118955418-A Luminescent compounds 克洛玛特维斯特有限公司 2024-11-15 — — CN disclosed
EP-4034173-A1 TRIPHENYLENE DERIVATIVES FOR USE IN IMAGING BIOLOGICAL TISSUE OR FLUID Chromatwist Limited (GB) 2022-08-03 — — EP disclosed
WO-2021058969-A1 TRIPHENYLENE DERIVATIVES FOR USE IN IMAGING BIOLOGICAL TISSUE OR FLUID Chromatwist Limited (GB) 2021-04-01 — — WO disclosed
WO-2021058970-A1 POLYMERS Chromatwist Limited (GB) 2021-04-01 — — WO disclosed
EP-3768676-A1 LUMINESCENT COMPOUNDS The University Of Birmingham (GB) 2021-01-27 — — EP disclosed
WO-2019180445-A1 LUMINESCENT COMPOUNDS THE UNIVERSITY OF BIRMINGHAM (GB) 2019-09-26 — — WO disclosed
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