SCHEMBL17012345

SCHEMBL17012345

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccncc6)nc5)cc4)c4cccc-3c24)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.40
▸ CYP11B2 P19099 4/20 0.36
▸ TNF P01375 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ IMPDH2 P12268 2/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ FYN P06241 2/20 0.31
▸ MAPK1 P28482 1/20 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
SCHEMBL16484420 0.94 CYP11B1 (0.38) CYP11B1CYP11B2TNF
SCHEMBL16485082 0.94 CYP11B1 (0.36) CYP11B1CYP11B2TNFPIK3CAKDM4E
SCHEMBL16484438 0.91 CYP11B1 (0.39) CYP11B1CYP11B2TNFPIK3CAKDM4E
SCHEMBL16485345 0.90 CYP11B1 (0.43) CYP11B1CYP11B2TNFPIK3CAKDM4E
SCHEMBL16484466 0.90 PIK3CA (0.39) TNFPIK3CAKDM4EALDH1A1MAPT
SCHEMBL16484517 0.89 TNF (0.38) CYP11B1CYP11B2TNFPIK3CAKDM4E
SCHEMBL16484454 0.89 PIK3CA (0.40) TNFPIK3CAKDM4EALDH1A1MAPT
SCHEMBL20016878 0.89 PIK3CA (0.39) CYP11B1TNFPIK3CAKDM4EALDH1A1
SCHEMBL16484448 0.88 HPGDS (0.36) CYP11B1TNFKDM4EALDH1A1HPGD
SCHEMBL16484558 0.88 TNF (0.39) CYP11B1CYP11B2TNFPIK3CAKDM4E

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 6 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

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 CYP11B1 4354/4885CYP11B2 3859/4885TNF 3654/4885

“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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