SCHEMBL3194381

SCHEMBL3194381

O=COc1cc(Br)cc(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.34
ERN1 O75460 2/20 0.32
ALDH1A1 P00352 1/20 0.30
IDO1 P14902 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
SCHEMBL18875293 0.95 ERN1 (0.32) SOD1ERN1ALDH1A1
SCHEMBL21726722 0.84 ALDH1A1 (0.46) ERN1ALDH1A1
SCHEMBL18573171 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12246759 0.80 POLB (0.40) ALDH1A1
SCHEMBL1825807 0.77 ALDH1A1 (0.48) SOD1ALDH1A1
SCHEMBL27955269 0.75 MAPT (0.46) ALDH1A1
SCHEMBL15115431 0.75 POLB (0.39)
SCHEMBL18875268 0.74 DHODH (0.36)
SCHEMBL18875305 0.74 POLB (0.36)
SCHEMBL97752 0.74 CA1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105254900-B The high molecular material and preparation method of the modification of bromine substituted aromatic and application 华东师范大学 2018-11-09 CN disclosed
US-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
CN-100526983-C Composition for forming antireflection film NISSAN CHEMICAL IND LTD (JP) 2009-08-12 CN disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 EP disclosed
CN-1274670-C Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2006-09-13 CN disclosed
CN-1636166-A Composition for forming anti-reflective coating NISSAN CHEMICAL IND LTD (JP) 2005-07-06 CN disclosed
CN-1323291-A Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2001-11-21 CN 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 (1 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 SOD1 45/4885ERN1 2138/4885ALDH1A1 3087/4885

“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.