SCHEMBL10015427

SCHEMBL10015427

Brc1ccc2c3c(-c4ccccc4)c4cc5c6ccccc6c6cccc(c4c(-c4ccccc4)c3c3cccc1c23)c65

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 4/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL10015430 1.00 CYP1B1 (0.33) CYP1B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4975722 0.89 CYP1A2 (0.35) CYP1B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14727348 0.87 CYP1B1 (0.32) CYP1B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4885763 0.87 CYP1A2 (0.40) CYP1B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4886531 0.87 CYP1A2 (0.40) CYP1B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11954581 0.86 CYP1A2 (0.35) CYP1B1CYP1A2MAPK1
SCHEMBL3437824 0.86 CYP1A2 (0.37) CYP1B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21699093 0.86 CYP1A2 (0.37) CYP1B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14262642 0.84 CYP1A2 (0.37) CYP1B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13090418 0.83 — —

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3422431-B1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2021-11-03 — — EP disclosed
US-9461260-B2 Organic light emitting device CANON KABUSHIKI KAISHA (JP) 2016-10-04 — — US disclosed
US-9461260-B2 Organic light emitting device CANON KABUSHIKI KAISHA (JP) 2016-10-04 — — US disclosed
US-9315460-B2 Organic compound, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2016-04-19 — — US disclosed
US-9315460-B2 Organic compound, light-emitting device, and image display apparatus CANON KABUSHIKI KAISHA (JP) 2016-04-19 — — US disclosed
US-9240554-B2 Organic compound, organic electroluminescence element, and image display device CANON KABUSHIKI KAISHA (JP) 2016-01-19 — — US disclosed
US-9240554-B2 Organic compound, organic electroluminescence element, and image display device CANON KABUSHIKI KAISHA (JP) 2016-01-19 — — US disclosed
EP-2421809-B1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KK (JP) 2015-09-02 — — EP disclosed
US-8952873-B2 Fused polycyclic compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2015-02-10 — — US disclosed
US-8952873-B2 Fused polycyclic compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2015-02-10 — — US disclosed
US-20130300638-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2013-11-14 — — US disclosed
US-20130264550-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-10-10 — — US disclosed
US-20130264550-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-10-10 — — US disclosed
US-20120306727-A1 FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2012-12-06 — — US disclosed
US-20120306727-A1 FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2012-12-06 — — US disclosed
EP-2530071-A1 Fused polycyclic compound and organic light-emitting device using the compound Canon Kabushiki Kaisha (JP) 2012-12-05 — — EP disclosed
WO-2012098793-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2012-07-26 — — WO disclosed
US-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-02-02 — — US disclosed
US-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-02-02 — — US disclosed
WO-2010123153-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 2010-10-28 — — 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 (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-20120025183-A1 NOVEL ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND IMAGE DISPLAY APPARATUS ACE, ACE2, AGTR1 CYP1B1 99/4885CYP1A2 182/4885CYP3A4 294/4885
US-20120306727-A1 FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND PPOX, INTS9, LAGE3 CYP1B1 81/4885CYP1A2 194/4885CYP3A4 143/4885

“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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