SCHEMBL993217

SCHEMBL993217

Brc1cc(Br)cc(-c2cc(Br)cc(Br)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2A6 P11509 1/20 0.36
IDO1 P14902 1/20 0.35
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
AHR P35869 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL10040717 0.96 APEX1 (0.41) APEX1CHRNB4CHRNA3CYP3A4TSHR
Hydrogen Sulfide SCHEMBL11472701 0.96 APEX1 (0.41) APEX1CHRNB4CHRNA3CYP3A4TSHR
Water SCHEMBL10830901 0.96 APEX1 (0.41) APEX1CHRNB4CHRNA3CYP3A4TSHR
SCHEMBL18748288 0.89 ALDH1A1 (0.45) APEX1CHRNB4CHRNA3CYP3A4TSHR
SCHEMBL24617 0.85
Ethyne SCHEMBL28907740 0.84
SCHEMBL2597665 0.83 ALDH1A1 (0.55) CYP2A6MEN1GAAMAPTKMT2A
SCHEMBL12441029 0.80 CHRNB4 (0.32) APEX1CHRNB4CHRNA3
SCHEMBL1562747 0.80 ALDH1A1 (0.60) CYP3A4TSHRTDP1GABRA1MEN1
SCHEMBL15641762 0.80 ALDH1A1 (0.38) APEX1CHRNB4CHRNA3TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500582-B Multinuclear cobalt cluster metal organic framework material based on four-head pyrazole ligand, preparation and application 北京工业大学 2022-03-29 CN claimed
CN-112500582-A Multinuclear cobalt cluster metal organic framework material based on four-head pyrazole ligand, preparation and application 北京工业大学 2021-03-16 CN claimed
US-20250215260-A1 SILPHENYLENE POLYMERS WACKER CHEMIE AG (DE) 2025-07-03 US disclosed
EP-3169722-B9 NANOPARTICLES CHROMITION LTD (GB) 2025-06-18 EP disclosed
EP-3169722-B1 NANOPARTICLES CHROMITION LTD (GB) 2025-02-12 EP disclosed
WO-2024235507-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-11-21 WO disclosed
WO-2024160834-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-08-08 WO disclosed
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2024-07-04 US disclosed
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2024-07-04 US disclosed
CN-118027412-A Photo-alignment material 罗利克技术有限公司 2024-05-14 CN disclosed
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-01-16 US disclosed
EP-1591510-A2 Organic electroluminescence device LG ELECTRONICS INC. (KR) 2005-11-02 EP disclosed
US-20050227113-A1 Blue phosphorescence LG ELECTRONICS INC. 2005-10-13 US disclosed
US-20050205864-A1 Organic electroluminescence device LG ELECTRONICS INC. 2005-09-22 US disclosed
EP-1577364-A1 Organic electroluminescence device LG ELECTRONICS INC. (KR) 2005-09-21 EP disclosed
WO-2005082851-A2 CHARGE TRANSPORT COMPOUNDS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-09-09 WO disclosed
US-20050186495-A1 Charge transport compounds and electronic devices made with such compounds LG CHEM, LTD. (KR) 2005-08-25 US disclosed
US-5877214-A Polyaryl-poly(ethylene glycol) supports for solution-phase combinatorial synthesis MERCK & CO., INC. (US) 1999-03-02 US disclosed
US-4525516-A BUBBLE FREE MOLDFING PHILLIPS PETROLEUM COMPANY (US) 1985-06-25 US disclosed
US-4289687-A BLENDING WITH HALOGENATED ACENAPHTHYLENE, FREE RADICAL POLYMERIZATION JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1981-09-15 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 (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-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EMC1, EMC2, EPCAM APEX1 1291/4885CHRNB4 2538/4885CHRNA3 2610/4885
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, AOC1 APEX1 1535/4885CHRNB4 2681/4885CHRNA3 2722/4885

“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.