SCHEMBL19406166

SCHEMBL19406166

CCCCCCn1c2ccc(-c3ccc(OC)cc3)cc2c2c1c1c3cc(-c4ccc(OC)cc4)ccc3n(CCCCCC)c1c1c3cc(-c4ccc(OC)cc4)ccc3n(CCCCCC)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
TSPO P30536 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
PSEN1 P49768 6/20 0.44
PSEN2 P49810 6/20 0.44
APH1B Q8WW43 6/20 0.44
NCSTN Q92542 6/20 0.44
APH1A Q96BI3 6/20 0.44
PSENEN Q9NZ42 6/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
ICMT O60725 2/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43

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
SCHEMBL19418005 0.94 TSPO (0.44) PLA2G2AMAOAMAOBTSPOGRIN1
SCHEMBL19406164 0.89 MAOA (0.58) PLA2G2AMAOAMAOBGRIN1GRIN2A
SCHEMBL3358616 0.86 KDM4E (0.52) PLA2G2AMAOAMAOBTSPOGRIN1
SCHEMBL19418007 0.85 PLA2G2A (0.46) PLA2G2AMAOAMAOBGRIN1GRIN2A
SCHEMBL13592789 0.82 ICMT (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14160802 0.82 KDM4E (0.51) PLA2G2AMAOAMAOBTSPOGRIN1
SCHEMBL20994178 0.81 ICMT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22042200 0.81 MAOA (0.68) PLA2G2AMAOAMAOBGRIN1GRIN2A
SCHEMBL22087155 0.81 MAOA (0.68) PLA2G2AMAOAMAOBGRIN1GRIN2A
SCHEMBL14261695 0.80 ICMT (0.48) PLA2G2AMAOAMAOBTSPOGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180006241-A1 NOVEL COMPOUND AND USE THEREOF AS A HOLE TRANSPORT MATERIAL ABENGOA RESEARCH, S.L. (ES) 2018-01-04 US disclosed
EP-3225624-A1 NOVEL COMPOUND AND USE THEREOF AS A HOLE-TRANSPORT MATERIAL Abengoa Research, S.L. (ES) 2017-10-04 EP disclosed
EP-3225624-A1 NOVEL COMPOUND AND USE THEREOF AS A HOLE-TRANSPORT MATERIAL Abengoa Research, S.L. (ES) 2017-10-04 EP 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-20180006241-A1 NOVEL COMPOUND AND USE THEREOF AS A HOLE TRANSPORT MATERIAL MITF, SLC39A11, TRPA1 PLA2G2A 4184/4885MAOA 1204/4885MAOB 1343/4885

“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.