SCHEMBL4612461

SCHEMBL4612461

C(=C(/c1ccccc1)c1ccccc1/C(=C\c1ccccc1)c1ccccc1)\c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
CYP19A1 P11511 2/20 0.57
CYP11B2 P19099 2/20 0.57
PTGS2 P35354 3/20 0.48
AKR1C1 Q04828 1/20 0.48
AKR1C3 P42330 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PRMT1 Q99873 1/20 0.44
CYP2D6 P10635 1/20 0.44
ESR2 Q92731 1/20 0.43
TRPA1 O75762 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 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
SCHEMBL4612464 1.00 ESR1 (0.59) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL420329 0.90 ESR1 (0.50) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL5945849 0.89 ESR1 (0.53) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL55433 0.87 ESR1 (0.74) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL3771825 0.87 ESR1 (0.57) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL987332 0.86 ESR1 (0.50) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL8641797 0.86 MAPT (0.50) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL7646238 0.86 MAPT (0.50) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL987336 0.86 ESR1 (0.50) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL4612465 0.85 ESR1 (0.78) ESR1CYP19A1CYP11B2PTGS2AKR1C1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220407012-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING ORGANIC COMPOUND, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE SOULBRAIN CO., LTD. (KR) 2022-12-22 US disclosed
US-20220407011-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING ORGANIC COMPOUND, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE SOULBRAIN CO., LTD. (KR) 2022-12-22 US disclosed
WO-2021086143-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND DISPLAY DEVICE COMPRISING ORGANIC LIGHT-EMITTING DIODE 솔브레인 주식회사 2021-05-06 WO disclosed
WO-2021086142-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE 솔브레인 주식회사 2021-05-06 WO disclosed
US-20200176679-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-06-04 US disclosed
US-10396289-B2 Spiro organic compounds, material comprising the same for organic electroluminescence devices, and organic electroluminescence device comprising the material NANJING TOPTO MATERIALS CO., LTD. (CN) 2019-08-27 US disclosed
US-10396290-B2 Spiro organic compounds, material comprising the same for organic electroluminescence devices, and organic electroluminescence device comprising the material NANJING TOPTO MATERIALS CO., LTD. (CN) 2019-08-27 US disclosed
US-20190161485-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SOULBRAIN CO., LTD. (KR) 2019-05-30 US disclosed
US-20190006592-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME MATERIAL SCIENCE CO., LTD. (KR) 2019-01-03 US disclosed
US-20170125678-A1 NOVEL ORGANIC COMPOUND, MATERIAL COMPRISING THE SAME FOR ORGANIC ELECTROLUMINESCENCE DEVICES, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE MATERIAL NANJING TOPTO MATERIALS CO., LTD. (CN) 2017-05-04 US disclosed
US-20170125677-A1 NOVEL ORGANIC COMPOUND, MATERIAL COMPRISING THE SAME FOR ORGANIC ELECTROLUMINESCENCE DEVICES, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE MATERIAL NANJING TOPTO MATERIALS CO., LTD. (CN) 2017-05-04 US disclosed
EP-1288184-B1 Bis(diphenylvinyl)arene compound SUMITOMO CHEMICAL CO (JP) 2008-10-29 EP disclosed
US-6875895-B2 Such as 1,4-bis(2-(4-bromophenyl)-2-phenylethenyl)-2-(2-ethylhexyloxy)-5 -methoxybenzene; for polymerization into a light-emitting material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-05 US disclosed
US-20030100786-A1 Bis (diphenylvinyl) arene compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-05-29 US disclosed
EP-1288184-A1 Bis(diphenylvinyl)arene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 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 (10 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-20170125677-A1 NOVEL ORGANIC COMPOUND, MATERIAL COMPRISING THE SAME FOR ORGANIC ELECTROLUMINESCENCE DEVICES, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE MATERIAL SLCO4C1, PIEZO1, TRPA1 ESR1 365/4885CYP19A1 711/4885CYP11B2 2373/4885
US-20190006592-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME OCIAD1, OCIAD2, ORC3 ESR1 39/4885CYP19A1 538/4885CYP11B2 227/4885
US-20190161485-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE DRD1, NR2E3, CRY1 ESR1 133/4885CYP19A1 52/4885CYP11B2 306/4885
US-20170125678-A1 NOVEL ORGANIC COMPOUND, MATERIAL COMPRISING THE SAME FOR ORGANIC ELECTROLUMINESCENCE DEVICES, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE MATERIAL OR10J3, TRPM4, PIEZO1 ESR1 416/4885CYP19A1 2884/4885CYP11B2 3649/4885
US-20200176679-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME PIEZO1, ODC1, OR10J3 ESR1 82/4885CYP19A1 242/4885CYP11B2 1176/4885
US-20030100786-A1 Bis (diphenylvinyl) arene compound CBR1, AR, CYP1B1 ESR1 343/4885CYP19A1 45/4885CYP11B2 76/4885
US-10396290-B2 Spiro organic compounds, material comprising the same for organic electroluminescence devices, and organic electroluminescence device comprising the material SALL4, TRPA1, PORCN ESR1 289/4885CYP19A1 1832/4885CYP11B2 2520/4885
US-20220407011-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING ORGANIC COMPOUND, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE OCIAD1, AOX1, OXER1 ESR1 495/4885CYP19A1 86/4885CYP11B2 859/4885
US-10396289-B2 Spiro organic compounds, material comprising the same for organic electroluminescence devices, and organic electroluminescence device comprising the material TRPA1, SLCO4C1, TRPC1 ESR1 277/4885CYP19A1 478/4885CYP11B2 1852/4885
US-20220407012-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING ORGANIC COMPOUND, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE OCIAD1, AOX1, OXER1 ESR1 491/4885CYP19A1 108/4885CYP11B2 1074/4885

“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.