SCHEMBL16484572

SCHEMBL16484572

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DHODH Q02127 2/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL17012296 1.00 CYP1A2 (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16485352 0.97 DHODH (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17012321 0.91 TGFBR1 (0.36) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16484666 0.91 TGFBR1 (0.36) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17132508 0.90 TGFBR1 (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16484038 0.90 DHODH (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17012400 0.90 KDM4E (0.43) CYP1A2DHODHPDK2TGFBR1KDM4E
SCHEMBL16485340 0.90 PDK2 (0.38) DHODHPDK2TGFBR1MAPK1SMN1; SMN2
SCHEMBL16485356 0.90 DHODH (0.35) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16485343 0.89 HPGDS (0.37) CYP1A2DHODHPDK2TGFBR1CRHBP

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 CYP1A2 563/4885CYP2D6 2255/4885CYP19A1 493/4885

“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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