SCHEMBL869842

SCHEMBL869842

COc1ccc2sc3cc4oc5cc(OC)ccc5sc4cc3oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CA3 P07451 1/20 0.44
AKR1B1 P15121 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL3802319 0.81 MAOA (0.58) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL7097279 0.73 KDM4E (0.69) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL13502296 0.73 KDM4E (0.65) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2102718 0.70 ALDH1A1 (0.69) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL869986 0.69 GPR3 (0.40) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL18045173 0.69 ALDH1A1 (0.77) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL85996 0.67 MAOB (0.62) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL3661536 0.67 NPC1 (0.83) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL30120715 0.67 KDM4E (0.83) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL13356708 0.67 NPC1 (0.57) KDM4EALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062064-B2 Heterocyclic compounds and the use thereof in electronic and optoelectronic components NOVALED AG (DE) 2015-06-23 US claimed
CN-102317406-A Heterocyclic compounds and their use in electronic and optoelectronic components NOVALED AG 2012-01-11 CN claimed
US-20110309307-A1 Heterocyclic Compounds and the Use Thereof in Electronic and Optoelectronic Components NOVALED AG (DE) 2011-12-22 US claimed
WO-2010075836-A2 HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN ELECTRONIC AND OPTOELECTRONIC COMPONENTS NOVALED AG (DE) 2010-07-08 WO claimed
US-9062064-B2 Heterocyclic compounds and the use thereof in electronic and optoelectronic components NOVALED AG (DE) 2015-06-23 US disclosed
US-8637858-B2 Tandem white OLED NOVALED AG (DE) 2014-01-28 US disclosed
US-20120074392-A1 Tandem White OLED NOVALED AG (DE) 2012-03-29 US disclosed
CN-102317406-A Heterocyclic compounds and their use in electronic and optoelectronic components NOVALED AG 2012-01-11 CN disclosed
US-20110309307-A1 Heterocyclic Compounds and the Use Thereof in Electronic and Optoelectronic Components NOVALED AG (DE) 2011-12-22 US disclosed
WO-2010075836-A2 HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN ELECTRONIC AND OPTOELECTRONIC COMPONENTS NOVALED AG (DE) 2010-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110309307-A1 Heterocyclic Compounds and the Use Thereof in Electronic and Optoelectronic Components TRPA1, SLC18A3, CYBA KDM4E 4430/4885ALDH1A1 574/4885MAPT 956/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.