SCHEMBL8680691

SCHEMBL8680691

C1=CC2(C=Cc3c(ccc4cc5ccccc5cc34)O2)Oc2ccc3ccccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 5/20 0.40
HIF1A Q16665 2/20 0.40
CYP1B1 Q16678 1/20 0.40
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL5913910 0.91 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL30612735 0.91 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL8682698 0.87 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL8862536 0.83 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL30612751 0.82 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL6139999 0.82 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL8681961 0.79 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL30612722 0.79 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL8680602 0.79 NPC1 (0.43) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL8680374 0.79 KDM4E (0.43) ALDH1A1HPGDKDM4EMAPTMEN1

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
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed