SCHEMBL16484653

SCHEMBL16484653

c1cncc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 2/20 0.38
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL16484578 0.94 TNF (0.43) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL16484699 0.93 CYP11B1 (0.50) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL16484087 0.92 CYP11B1 (0.40) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL16484067 0.91 CYP11B1 (0.42) ALDH1A1HPGDKDM4EMAPTRAB9A
SCHEMBL16483925 0.91 CYP11B1 (0.43) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL16484718 0.91 CYP11B1 (0.45) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL17012371 0.91 CYP11B1 (0.45) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL16484678 0.90 CYP11B1 (0.46) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL17012317 0.90 CYP11B1 (0.41) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL17132493 0.89 CYP11B1 (0.43) TNFALDH1A1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907803-B1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT TORAY INDUSTRIES (JP) 2021-08-18 EP disclosed
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 US disclosed
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 US disclosed
EP-2907803-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT Toray Industries, Inc. (JP) 2015-08-19 EP disclosed
WO-2014057874-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT 東レ株式会社 (JP) 2014-04-17 WO 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-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE FMNL1, AFF2, LEF1 TNF 3654/4885ALDH1A1 1031/4885HPGD 3245/4885

“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.