SCHEMBL2085145

SCHEMBL2085145

OB(O)Oc1cc(Br)cc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SOD1 P00441 1/20 0.31
IDO1 P14902 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL30918965 0.84 VEGFA (0.34)
SCHEMBL29112060 0.84 ALDH1A1 (0.33) TSHRCYP3A4TDP1
SCHEMBL31322177 0.84 ERN1 (0.31)
SCHEMBL29706573 0.84 ALDH1A1 (0.33) TSHRCYP3A4TDP1
SCHEMBL4578633 0.82 ALDH1A1 (0.32)
SCHEMBL5530416 0.80 SOD1 (0.32) SOD1IDO1
SCHEMBL30814315 0.79 NOTUM (0.45) CYP3A4IDO1
SCHEMBL31618425 0.79 POLB (0.41) TDP1CA1CA2
SCHEMBL31452026 0.76 CHRNB4 (0.43) TSHRCYP3A4
SCHEMBL6678965 0.76 APEX1 (0.41) TDP1CA1CA2

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
CN-113620878-B Ni metal-organic framework material and preparation method and application thereof 山西大学 2023-01-31 CN claimed
CN-113620878-B Ni metal-organic framework material and preparation method and application thereof 山西大学 2023-01-31 CN disclosed
EP-1722603-B2 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO (JP) 2021-02-17 EP disclosed
US-10297768-B2 Multidentate dinuclear cyclometallated complexes containing N^C^C^N—N^C^C^N ligand ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2019-05-21 US disclosed
US-8895154-B2 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2014-11-25 US disclosed
US-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-03-03 US disclosed
US-7790892-B2 Aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-09-07 US disclosed
US-20070172698-A1 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2007-07-26 US disclosed
EP-1722603-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2006-11-15 EP disclosed
US-20050214565-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2005-09-29 US disclosed
EP-1496041-A1 NOVEL AROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCNET ELEMENT CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-01-12 EP disclosed
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 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-10297768-B2 Multidentate dinuclear cyclometallated complexes containing N^C^C^N—N^C^C^N ligand NCL, NCLN, ICOSLG TSHR 4671/4885CYP3A4 2286/4885TDP1 3749/4885
US-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same TYR, EML4, TCF7L2 TSHR 4260/4885CYP3A4 1494/4885TDP1 2183/4885

“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.