SCHEMBL17132477

SCHEMBL17132477

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccc(-c6ccccn6)cc5)c5ccc(-c6ccccn6)cc5)c4)c4cccc-3c24)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PRKDC P78527 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ TLR4 O00206 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL16485096 1.00 TGFBR1 (0.35) TGFBR1DHODHPDK2PRKDCTSHR
SCHEMBL16484419 0.97 PDK2 (0.36) TGFBR1DHODHPDK2PRKDCTSHR
SCHEMBL16485097 0.97 PRKDC (0.35) TGFBR1DHODHPDK2PRKDCTSHR
SCHEMBL16484417 0.94 NPC1 (0.35) TGFBR1DHODHPDK2PRKDCTSHR
SCHEMBL16485105 0.94 PRKDC (0.36) TGFBR1DHODHPDK2PRKDCTSHR
SCHEMBL16484465 0.93 NPC1 (0.36) TGFBR1DHODHPDK2PRKDCTSHR
SCHEMBL16484468 0.93 PDK2 (0.34) TGFBR1DHODHPDK2PRKDCTSHR
SCHEMBL17012236 0.92 TGFBR1 (0.34) TGFBR1PRKDCTSHRMAPK1HSD17B10
SCHEMBL17132508 0.91 TGFBR1 (0.38) TGFBR1DHODHPDK2PRKDCTSHR
SCHEMBL20016891 0.91 CYP11B1 (0.33) TGFBR1DHODHPDK2BRD4CYP11B1

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 5 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

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 TGFBR1 2930/4885DHODH 1108/4885PDK2 3373/4885

“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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