SCHEMBL21452059

SCHEMBL21452059

COc1ccc(N(c2cccc(C)c2)c2ccc3cc4c5ccc(N(c6ccc(OC)cc6)c6cccc(C)c6)cc5n(-c5ccccc5)c4cc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 4/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
CYP51A1 Q16850 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL21451746 0.92 KDM4E (0.35) KDM4EMAPTHTTTP53ALDH1A1
SCHEMBL23029157 0.92 KDM4E (0.40) KDM4ERAB9ANPC1MAPTHTT
SCHEMBL23029026 0.90 TP53 (0.35) KDM4ERAB9ANPC1MAPTTP53
SCHEMBL23029027 0.90 TP53 (0.35) KDM4ERAB9ANPC1MAPTTP53
SCHEMBL21452044 0.89 KDM4E (0.38) KDM4EMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL21451754 0.87 OXTR (0.42) KDM4ERAB9AMAPTHTTALDH1A1
SCHEMBL23029124 0.86 TDP1 (0.36) MAPTHTTHPGDNR1I2LMNA
SCHEMBL9913026 0.85 TDP1 (0.38) KDM4EMAPTHTTTP53HPGD
SCHEMBL23029181 0.85 KDM4E (0.41) KDM4EMAPTHTTALDH1A1CYP1A2
SCHEMBL23029031 0.85 ADRA2A (0.38) KDM4ERAB9AHTTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-25 US disclosed
WO-2019194617-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-10 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-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, RNF10, DRD2 KDM4E 2073/4885RAB9A 2007/4885NPC1 2899/4885

“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.