SCHEMBL20059986

SCHEMBL20059986

CC(C)(C)c1ccc(N(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.39
TYR P14679 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
SRD5A2 P31213 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 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
SCHEMBL15801366 0.91 TSHR (0.48) RAB9ATSHRLMNATYRMAPT
SCHEMBL18352212 0.90 KIF11 (0.46) RAB9AMEN1KMT2ANPSR1TSHR
SCHEMBL24206102 0.90 KIF11 (0.46) RAB9AMEN1KMT2ANPSR1TSHR
SCHEMBL2119818 0.86 MEN1 (0.40) MEN1KMT2ANPSR1CYP2D6TSHR
SCHEMBL45354 0.86 MEN1 (0.40) MEN1KMT2ANPSR1CYP2D6TSHR
SCHEMBL24206107 0.85 ESR1 (0.52) MEN1KMT2ATSHRESR1ESR2
SCHEMBL24206147 0.84 DHODH (0.47) PTGESALOX5KIF11
SCHEMBL12084092 0.83 ALDH1A1 (0.50) RAB9ATSHRMAPTALDH1A1CYP3A4
SCHEMBL23331672 0.83 ESR1 (0.54) MEN1KMT2ATSHRESR1ESR2
SCHEMBL20629502 0.83 RAB9A (0.45) RAB9AMEN1KMT2ANPSR1CYP2D6

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-20220017544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-01-20 US disclosed
EP-2728639-B1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ITS MANUFACTURING METHOD KONICA MINOLTA INC (JP) 2018-04-18 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-20220017544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME NR2E3, CBR3, CBR1 RAB9A 3809/4885MEN1 2469/4885KMT2A 2348/4885

“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.