SCHEMBL13428149

SCHEMBL13428149

c1ccc(-c2ccc3cc(-c4c5ccc(N6c7ccccc7CCc7ccccc76)cc5c(-c5ccccc5)c5ccc(N6c7ccccc7CCc7ccccc76)cc45)ccc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
HSD17B1 P14061 3/20 0.34
HSD17B2 P37059 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2B6 P20813 2/20 0.34
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
NR3C1 P04150 1/20 0.32
LMNA P02545 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
PDE6D O43924 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
SCHEMBL13008419 0.96 HSD17B3 (0.38) HSD17B3ESR1ESR2HSD17B1HSD17B2
SCHEMBL13009032 0.96 HSD17B3 (0.38) HSD17B3ESR1ESR2HSD17B1HSD17B2
SCHEMBL13008422 0.96 CYP1A2 (0.36) HSD17B3ESR1ESR2HSD17B1HSD17B2
SCHEMBL13008870 0.95 CYP1A2 (0.37) HSD17B3ESR1ESR2HSD17B1HSD17B2
SCHEMBL13428157 0.95 ALDH1A1 (0.37) HSD17B3ESR1ESR2HSD17B1HSD17B2
SCHEMBL13428138 0.95 CYP1A2 (0.37) HSD17B3ESR1ESR2HSD17B1HSD17B2
SCHEMBL13428140 0.94 CYP1A2 (0.35) HSD17B3ESR1ESR2HSD17B1HSD17B2
SCHEMBL13428117 0.94 ALDH1A1 (0.38) HSD17B3ESR1ESR2HSD17B1HSD17B2
SCHEMBL13008186 0.93 ESR1 (0.37) HSD17B3ESR1ESR2HSD17B1HSD17B2
SCHEMBL13008828 0.92 HSD17B3 (0.40) HSD17B3ESR1ESR2ALDH1A1HPGD

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 3787/4885ESR1 612/4885ESR2 171/4885

“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.