SCHEMBL16865012

SCHEMBL16865012

c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3cccc(-c4cccc(-c5cccc(N6c7ccccc7[Si](c7ccccc7)(c7ccccc7)c7ccccc76)c5)n4)c3)c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 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
SCHEMBL16865027 0.92 CNR1 (0.35) RAB9AMEN1KMT2AALDH1A1FAAH
SCHEMBL20022914 0.88 ALDH1A1 (0.45) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL21927357 0.88 CTSS (0.43) RAB9AMEN1KMT2AALDH1A1FAAH
SCHEMBL16017498 0.87 ALDH1A1 (0.47) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL20022917 0.87 ALDH1A1 (0.44) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL16865035 0.86 ALDH1A1 (0.36) MEN1KMT2AALDH1A1FAAHHSP90AA1
SCHEMBL16865049 0.86 CNR1 (0.36) CNR1
SCHEMBL20022909 0.83 FAAH (0.35) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL16865079 0.83 KDM4E (0.31) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL16865059 0.83 PIK3CD (0.31) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9761811-B2 Organic electroluminescence element and material for organic electroluminescence element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-09-12 — — US disclosed
US-9761811-B2 Organic electroluminescence element and material for organic electroluminescence element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-09-12 — — US disclosed
US-20150188056-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-07-02 — — 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-20150188056-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT LEF1, EPB41, ARL1 RAB9A 1862/4885MEN1 1522/4885KMT2A 2078/4885

“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.

Send feedback