SCHEMBL16201601

SCHEMBL16201601

c1cc(-c2cccc(-c3ccc4c(c3)c3cccc5c6c7c(ccc6n4c35)oc3ccccc37)c2)cc(-c2ccc3c(c2)c2cccc4c5c6c(ccc5n3c24)oc2ccccc26)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.44
PLA2G4A P47712 5/20 0.44
PLA2G10 O15496 1/20 0.44
PRKDC P78527 3/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HPGD P15428 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TNKS O95271 2/20 0.32
PARP1 P09874 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
CYP3A4 P08684 3/20 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
SCHEMBL21889616 0.88 ALDH1A1 (0.37) PLA2G2APLA2G4APLA2G10HPGDKDM4E
SCHEMBL20071409 0.86 ALDH1A1 (0.37) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL21718159 0.86 ALDH1A1 (0.39) PLA2G2APLA2G4APLA2G10HPGDKDM4E
SCHEMBL23995598 0.84 KDM4E (0.33) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL26286833 0.84 PLA2G2A (0.39) PLA2G2APLA2G4APLA2G10PRKDCHPGD
SCHEMBL22858088 0.84 PLA2G2A (0.36) PLA2G2APLA2G4APLA2G10CASP3SENP7
SCHEMBL21710643 0.83 MAPT (0.42) PLA2G2APLA2G4APLA2G10PRKDCCASP3
SCHEMBL17573734 0.83 ALDH1A1 (0.33) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL21717532 0.83 MAPT (0.40) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL21717991 0.83 MAPT (0.40) HPGDKDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220336752-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2022-10-20 US disclosed
US-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element UDC IRELAND LIMITED (IE) 2021-11-09 US disclosed
US-20140319507-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2014-10-30 US disclosed
US-20140319507-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2014-10-30 US 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 (2 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-20220336752-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element L1CAM, NR2E3, OR10J3 PLA2G2A 2305/4885PLA2G4A 2938/4885PLA2G10 1262/4885
US-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element L1CAM, OR10J3, INTS9 PLA2G2A 2632/4885PLA2G4A 3295/4885PLA2G10 1512/4885

“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.