SCHEMBL393605

SCHEMBL393605

CC(=O)C(=Cc1ccccc1)Cc1ccccc1.[Pd].[Pd]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
RECQL P46063 1/20 0.64
AKR1C3 P42330 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HTT P42858 1/20 0.41
MME P08473 2/20 0.41
FBP1 P09467 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL509572 1.00 CYP3A4 (0.71) CYP3A4CYP2C9RECQLAKR1C3ALDH1A1
SCHEMBL27842426 1.00 CYP3A4 (0.71) CYP3A4CYP2C9RECQLAKR1C3ALDH1A1
SCHEMBL22147 0.98 CYP3A4 (0.73) CYP3A4CYP2C9RECQLAKR1C3ALDH1A1
SCHEMBL8405958 0.96 CYP3A4 (0.71) CYP3A4CYP2C9RECQLAKR1C3ALDH1A1
SCHEMBL7265807 0.96 CYP3A4 (0.71) CYP3A4CYP2C9RECQLAKR1C3ALDH1A1
SCHEMBL23573648 0.92 CYP3A4 (0.65) CYP3A4CYP2C9RECQLAKR1C3ALDH1A1
SCHEMBL28791435 0.88 CYP3A4 (0.60) CYP3A4CYP2C9RECQLAKR1C3ALDH1A1
SCHEMBL27973887 0.87 CYP2C9 (0.58) CYP3A4CYP2C9RECQLAKR1C3ALDH1A1
SCHEMBL28791434 0.87 CYP3A4 (0.58) CYP3A4CYP2C9RECQLAKR1C3ALDH1A1
SCHEMBL27973886 0.87 CYP2C9 (0.58) CYP3A4CYP2C9RECQLALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457351-B Compound and organic light emitting device comprising the same 株式会社LG化学 2025-04-22 CN disclosed
CN-119798178-A Novel compound and organic light emitting device using the same 株式会社LG化学 2025-04-11 CN disclosed
CN-119775269-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2025-04-08 CN disclosed
CN-119546593-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2025-02-28 CN disclosed
CN-119095841-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-12-06 CN disclosed
CN-119054439-A Organic light emitting device 株式会社LG化学 2024-11-29 CN disclosed
US-20240357925-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2024-10-24 US disclosed
WO-2024196061-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-09-26 WO disclosed
WO-2024196207-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2024-09-26 WO disclosed
WO-2024167337-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2024-08-15 WO disclosed
WO-2020141949-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-07-09 WO disclosed
WO-2020085740-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-04-30 WO disclosed
EP-2628738-A1 Heterocyclic substituted pyridine derivatives and antifungal agent containing same Eisai R&D Management Co., Ltd. (JP) 2013-08-21 EP disclosed
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-8102113-B2 Quinoxaline-containing compounds and polymers thereof FUJI XEROX CO., LTD. (JP) 2012-01-24 US disclosed
EP-2141171-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOAMINO AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-01-06 EP disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20080306239-A1 QUINOXALINE-CONTAINING COMPOUNDS AND POLYMERS THEREOF FUJI XEROX CO., LTD. (JP) 2008-12-11 US disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 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 (3 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-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 CYP3A4 983/4885CYP2C9 1890/4885RECQL 2104/4885
US-20080306239-A1 QUINOXALINE-CONTAINING COMPOUNDS AND POLYMERS THEREOF ARL1, NMRAL1, PDXK CYP3A4 1635/4885CYP2C9 1670/4885RECQL 20/4885
US-20240357925-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME NR2E3, CRY1, CRY2 CYP3A4 739/4885CYP2C9 1123/4885RECQL 796/4885

“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.