SCHEMBL20022917

SCHEMBL20022917

c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3cccc(-c4cccc(-c5cccc(N6c7ccccc7[Si](c7ccccc7)(c7ccccc7)c7ccccc76)c5)c4)c3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ FAAH O00519 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ COMT P21964 6/20 0.34
▸ NR1H3 Q13133 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.31
▸ USP2 O75604 5/20 0.31
▸ HSD17B10 Q99714 5/20 0.31
▸ MAPK1 P28482 4/20 0.31
▸ CYP1A2 P05177 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ HPGD P15428 3/20 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
SCHEMBL20022914 0.98 ALDH1A1 (0.45) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL16017498 0.97 ALDH1A1 (0.47) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20022912 0.92 ALDH1A1 (0.44) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20022909 0.90 FAAH (0.35) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20022913 0.89 PDE6D (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20022901 0.89 FAAH (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20383152 0.89 ALDH1A1 (0.38) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL16017467 0.89 FAAH (0.38) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20022916 0.89 FAAH (0.34) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20022921 0.88 MGLL (0.37) ALDH1A1FAAHHSP90AA1PKMHTT

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-20180097181-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-05 — — US disclosed
US-20180097181-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-05 — — 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-20180097181-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME PKD1, PIEZO1, ETV6 ALDH1A1 525/4885FAAH 2834/4885HSP90AA1 4747/4885

“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.

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