SCHEMBL13428100

SCHEMBL13428100

c1ccc(-c2ccc(-c3c4ccc(N5c6ccccc6CCc6ccccc65)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N5c6ccccc6CCc6ccccc65)cc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.40
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
HPGD P15428 1/20 0.34
FAAH O00519 2/20 0.33
MGLL Q99685 2/20 0.33
PDE6D O43924 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
SRD5A1 P18405 1/20 0.31

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
SCHEMBL13008828 1.00 HSD17B3 (0.40) HSD17B3AVPR2OXTRAVPR1AHPGD
SCHEMBL13008864 0.97 HSD17B3 (0.36) HSD17B3AVPR2OXTRAVPR1AHPGD
SCHEMBL13009027 0.97 HSD17B3 (0.36) HSD17B3AVPR2OXTRAVPR1AHPGD
SCHEMBL13428133 0.93 HSD17B3 (0.40) HSD17B3AVPR2OXTRAVPR1AHPGD
SCHEMBL13428149 0.92 HSD17B3 (0.38) HSD17B3AVPR2OXTRAVPR1AHPGD
SCHEMBL13009023 0.92 HSD17B3 (0.39) HSD17B3AVPR2OXTRAVPR1AHPGD
SCHEMBL13009302 0.91 HPGD (0.41) HSD17B3AVPR2OXTRAVPR1AHPGD
SCHEMBL13008790 0.91 HPGD (0.41) HSD17B3AVPR2OXTRAVPR1AHPGD
SCHEMBL13008419 0.91 HSD17B3 (0.38) HSD17B3HPGDPDE6DALDH1A1MAPT
SCHEMBL13008422 0.91 CYP1A2 (0.36) HSD17B3AVPR2OXTRAVPR1AHPGD

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 3787/4885AVPR2 2997/4885OXTR 179/4885

“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.