SCHEMBL13428107

SCHEMBL13428107

Cc1cc(-c2c3ccc(N4c5ccccc5CCc5ccccc54)cc3c(-c3cc(C)c(C)c(C)c3)c3ccc(N4c5ccccc5CCc5ccccc54)cc23)cc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
SRD5A1 P18405 2/20 0.33
SLC6A2 P23975 4/20 0.32
NFKB1 P19838 3/20 0.32
CYP3A4 P08684 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A4 P31645 1/20 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
SCHEMBL13009120 0.92 ACHE (0.36) ACHESLC6A2ALDH1A1SMN1; SMN2MEN1
SCHEMBL13428104 0.88 SMN1; SMN2 (0.37) ACHESLC6A2NFKB1DRD2DRD3
SCHEMBL13428105 0.88 ALDH1A1 (0.37) SRD5A1SLC6A2NFKB1DRD2DRD3
SCHEMBL13008864 0.84 HSD17B3 (0.36) SLC6A2CHRM2CHRM1ADRA2BADRA2C
SCHEMBL13009027 0.84 HSD17B3 (0.36) SLC6A2CHRM2CHRM1ADRA2BADRA2C
SCHEMBL13427533 0.83 ACHE (0.40) ACHEMEN1KMT2A
SCHEMBL13540788 0.82 EED (0.43) MAPK1OPRK1NPSR1ALDH1A1MAPT
SCHEMBL13008441 0.82 ALDH1A1 (0.34) NFKB1CYP1A2NPSR1ALDH1A1MAPT
SCHEMBL13428100 0.82 HSD17B3 (0.40) SRD5A1SLC6A2CHRM2CHRM1ADRA2B
SCHEMBL13008828 0.82 HSD17B3 (0.40) SRD5A1SLC6A2CHRM2CHRM1ADRA2B

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-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 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 (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-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A ACHE 2982/4885SRD5A1 1143/4885SLC6A2 1637/4885

“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.