SCHEMBL18179415

SCHEMBL18179415

Nc1c(-c2cccc3c2oc2ccccc23)cccc1-c1cccc2c1oc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.58
PRKDC P78527 4/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
LIMK1 P53667 1/20 0.42
GGPS1 O95749 1/20 0.41
ATM Q13315 1/20 0.41
AHR P35869 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
NQO1 P15559 1/20 0.40

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
SCHEMBL10945864 0.90 ALOX5 (0.68) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL22197587 0.89 ALOX5 (0.51) ALOX5PRKDCALDH1A1KDM4EMEN1
SCHEMBL18179417 0.88 ALOX5 (0.51) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL18179420 0.88 ALOX5 (0.51) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL12996513 0.88 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL431458 0.88 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL430138 0.88 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL5028273 0.88 ALOX5 (0.66) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL17727864 0.87 ALOX5 (0.57) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL17974232 0.86 ALOX5 (0.69) ALOX5PRKDCPIK3CDPIK3CBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230217804-A1 LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230217804-A1 LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-10998501-B2 Material for organic electroluminescent device, organic electroluminescent device including the same and preparation method of triarylamine derivatives SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-04 US disclosed
US-20190198768-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME AND PREPARATION METHOD OF TRIARYLAMINE DERIVATIVES SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-27 US disclosed
US-10256413-B2 Material for organic electroluminescent device, organic electroluminescent device including the same and preparation method of triarylamine derivatives SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-09 US disclosed
US-20160315267-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME AND PREPARATION METHOD OF TRIARYLAMINE DERIVATIVES SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-27 US disclosed
US-20160315267-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME AND PREPARATION METHOD OF TRIARYLAMINE DERIVATIVES SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-27 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 (5 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-10998501-B2 Material for organic electroluminescent device, organic electroluminescent device including the same and preparation method of triarylamine derivatives TDO2, LEO1, COMT ALOX5 703/4885PRKDC 3850/4885PIK3CD 3383/4885
US-20160315267-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME AND PREPARATION METHOD OF TRIARYLAMINE DERIVATIVES TDO2, LEO1, COMT ALOX5 703/4885PRKDC 3850/4885PIK3CD 3383/4885
US-20230217804-A1 LIGHT EMITTING ELEMENT NR2E3, CRY1, CRY2 ALOX5 1587/4885PRKDC 4789/4885PIK3CD 4409/4885
US-10256413-B2 Material for organic electroluminescent device, organic electroluminescent device including the same and preparation method of triarylamine derivatives TDO2, LEO1, COMT ALOX5 703/4885PRKDC 3850/4885PIK3CD 3383/4885
US-20190198768-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME AND PREPARATION METHOD OF TRIARYLAMINE DERIVATIVES TDO2, LEO1, COMT ALOX5 703/4885PRKDC 3850/4885PIK3CD 3383/4885

“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.