Sugi Predict

Sugi Predict / Compounds / SCHEMBL17118564

SCHEMBL17118564

SCHEMBL17118564

c1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.36
▸ APP P05067 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ KMO O15229 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ FGFR1 P11362 1/20 0.33

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
SCHEMBL21365153 0.98 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21365230 0.98 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16843014 0.97 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16843016 0.97 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17118558 0.95 NISCH (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16843036 0.93 ACMSD (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21365231 0.93 ALDH1A1 (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16843034 0.93 ACMSD (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17118574 0.91 FLT3 (0.36) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17118568 0.90 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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-20180019416-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO LTD (KR) 2018-01-18 — — US disclosed
US-9780317-B2 Amine derivative, organic luminescent material and organic electroluminescent device using the amine derivative or the organic luminescent material SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-03 — — US disclosed
US-20150270502-A1 AMINE DERIVATIVE, ORGANIC LUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE AMINE DERIVATIVE OR THE ORGANIC LUMINESCENT MATERIAL SAMSUNG DISPLAY CO., LTD. (KP) 2015-09-24 — — US disclosed
US-20150270502-A1 AMINE DERIVATIVE, ORGANIC LUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE AMINE DERIVATIVE OR THE ORGANIC LUMINESCENT MATERIAL SAMSUNG DISPLAY CO., LTD. (KP) 2015-09-24 — — 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-20180019416-A1 ORGANIC ELECTROLUMINESCENT DEVICE ARL1, RIF1, LARS1 KDM4E 2731/4885ALDH1A1 531/4885CYP1A2 941/4885
US-20150270502-A1 AMINE DERIVATIVE, ORGANIC LUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE AMINE DERIVATIVE OR THE ORGANIC LUMINESCENT MATERIAL ARL1, RIF1, LARS1 KDM4E 1975/4885ALDH1A1 591/4885CYP1A2 1245/4885

“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.