SCHEMBL20022912

SCHEMBL20022912

c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccc(-c4cccc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)c4)cc3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ FAAH O00519 2/20 0.44
▸ MGLL Q99685 2/20 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
▸ PDE6D O43924 1/20 0.38
▸ HTR1A P08908 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ COMT P21964 7/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.32
▸ USP2 O75604 5/20 0.32
▸ HSD17B10 Q99714 5/20 0.32
▸ MAPK1 P28482 4/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ HPGD P15428 3/20 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
SCHEMBL16017498 0.95 ALDH1A1 (0.47) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL20022913 0.94 PDE6D (0.39) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL20022914 0.94 ALDH1A1 (0.45) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL20022917 0.92 ALDH1A1 (0.44) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL20022901 0.91 FAAH (0.39) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL20383373 0.89 MGLL (0.38) ALDH1A1FAAHMGLLPDE6DHPGD
SCHEMBL20022918 0.89 FAAH (0.40) ALDH1A1FAAHMGLLPDE6DHPGD
SCHEMBL17943699 0.89 FAAH (0.40) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL17943516 0.89 FAAH (0.40) ALDH1A1FAAHMGLLHSP90AA1PKM
SCHEMBL20152415 0.88 FAAH (0.35) ALDH1A1FAAHMGLLHSP90AA1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180205019-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-19 — — US disclosed
US-20180205019-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-19 — — US disclosed
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 (2 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-20180205019-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, TOE1, SLCO4C1 ALDH1A1 312/4885FAAH 2886/4885MGLL 3584/4885
US-20180097181-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME PKD1, PIEZO1, ETV6 ALDH1A1 525/4885FAAH 2834/4885MGLL 3711/4885

“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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