SCHEMBL13428133

SCHEMBL13428133

c1ccc(-c2ccc(-c3cccc(-c4c5ccc(N6c7ccccc7CCc7ccccc76)cc5c(-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)c5ccc(N6c7ccccc7CCc7ccccc76)cc45)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.40
FAAH O00519 2/20 0.35
MGLL Q99685 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
AVPR2 P30518 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
PDE6D O43924 1/20 0.33
HPGD P15428 1/20 0.32
SRD5A1 P18405 1/20 0.32
SLC11A2 P49281 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
PRKDC P78527 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL13009023 0.99 HSD17B3 (0.39) HSD17B3FAAHMGLLALDH1A1HSP90AA1
SCHEMBL13428100 0.93 HSD17B3 (0.40) HSD17B3FAAHMGLLALDH1A1HSP90AA1
SCHEMBL13008828 0.93 HSD17B3 (0.40) HSD17B3FAAHMGLLALDH1A1HSP90AA1
SCHEMBL13008233 0.92 HPGD (0.38) HSD17B3FAAHMGLLALDH1A1HSP90AA1
SCHEMBL13428149 0.91 HSD17B3 (0.38) HSD17B3FAAHMGLLALDH1A1HSP90AA1
SCHEMBL13009304 0.90 HPGD (0.39) HSD17B3FAAHMGLLALDH1A1HSP90AA1
SCHEMBL13428140 0.90 CYP1A2 (0.35) HSD17B3ALDH1A1HSP90AA1PDE6DHPGD
SCHEMBL13008864 0.90 HSD17B3 (0.36) HSD17B3ALDH1A1PKMAVPR2OXTR
SCHEMBL13009027 0.90 HSD17B3 (0.36) HSD17B3ALDH1A1PKMAVPR2OXTR
SCHEMBL13009032 0.90 HSD17B3 (0.38) HSD17B3ALDH1A1HSP90AA1AVPR2OXTR

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 HSD17B3 3787/4885FAAH 3781/4885MGLL 4337/4885

“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.