SCHEMBL8334841

SCHEMBL8334841

CC1=C(C)C(C)(C)Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GLA P06280 3/20 0.41
MAPT P10636 3/20 0.41
CTDSP1 Q9GZU7 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 7/20 0.33
KDM4E B2RXH2 1/20 0.31
CES2 O00748 1/20 0.31
GMNN O75496 1/20 0.31
TDP2 O95551 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HSPD1 P10809 1/20 0.31

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
SCHEMBL11185934 0.80 MAPT (0.36) ALDH1A1GLAMAPTCTDSP1MEN1
SCHEMBL29191735 0.80 ALDH1A1 (0.39) ALDH1A1GLAMAPTCTDSP1MEN1
SCHEMBL13009960 0.74 IDO1 (0.34) ALDH1A1GLAMAPTCTDSP1HPGD
SCHEMBL29833582 0.72 PDK2 (0.34) ALDH1A1GLAMAPTHPGDKCNH2
SCHEMBL68917 0.72 ALDH1A1 (0.50) ALDH1A1MAPTHPGDIDO1KDM4E
SCHEMBL346891 0.72 PDK2 (0.34) ALDH1A1GLAMAPTHPGDKCNH2
SCHEMBL11151388 0.69 TRPA1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8724618 0.69 ALDH1A1 (0.34) ALDH1A1GLAMAPTCTDSP1HPGD
SCHEMBL29159514 0.68 MAPK1 (0.40) ALDH1A1GLAMAPTMEN1KMT2A
SCHEMBL9354700 0.67 MAPT (0.33) ALDH1A1GLAMAPTCTDSP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016190-A1 ROXBURGH ROSE AND COIX SEEDS COMPOSITE BEVERAGE AND PREPARATION METHOD THEREOF GUIZHOU UNIVERSITY (CN) 2024-01-18 US disclosed
EP-0670300-B1 Process for the preparation of allyl quinone derivatives, and intermediates EISAI CO LTD (JP) 1999-06-23 EP disclosed
US-5874611-A Butenyl hydroquinone derivatives EISAI CHEMICAL CO., LTD. (JP) 1999-02-23 US disclosed
US-5565586-A Oxidative process for the preparation of allyl quinone derivatives EISAI CHEMICAL CO., LTD. (JP) 1996-10-15 US disclosed
EP-0670300-A2 Process for the preparation of allyl quinone derivatives, and intermediates EISAI CHEMICAL CO., LTD. (JP) 1995-09-06 EP disclosed
US-5364946-A Process for the preparation of substituted pentaalkylchromenes LONZA LTD. (CH) 1994-11-15 US disclosed
EP-0543346-B1 Method for the preparation of substituted pentaalkylchromenes LONZA AG (CH) 1994-09-07 EP disclosed
US-5304663-A Tetraalkyl-substituted 1,4-benzoquinones as intermediates for tetra- or penta-alkyl substituted 6-hydroxy-chromenes LONZA LTD. (CH) 1994-04-19 US disclosed
EP-0543346-A1 Method for the preparation of substituted pentaalkylchromenes LONZA AG (CH) 1993-05-26 EP disclosed