SCHEMBL1703301

SCHEMBL1703301

CC(C)C(O)C(Br)(Br)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11574944 0.81 LMNA (0.36) LMNAALDH1A1KDM4E
SCHEMBL426138 0.80
SCHEMBL38659612 0.73 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL2728735 0.70 LMNA (0.39) LMNAALDH1A1KDM4E
SCHEMBL17707711 0.70 LMNA (0.45) LMNA
SCHEMBL1703308 0.70 LMNA (0.39) LMNAALDH1A1KDM4E
SCHEMBL2550497 0.68
SCHEMBL1702973 0.68
SCHEMBL92188 0.67 LMNA (0.36) LMNAALDH1A1KDM4E
SCHEMBL9460690 0.66 ALDH1A1 (0.38) LMNAALDH1A1KDM4E

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
EP-2440047-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES Dow Global Technologies LLC (US) 2012-04-18 EP claimed
US-20100317744-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES DDP SPECIALTY ELECTRONIC MATERIALS US, LLC. 2010-12-16 US claimed
WO-2010144511-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES DOW GLOBAL TECHNOLOGIES INC. (US) 2010-12-16 WO claimed
US-8993638-B2 Brominated nitroalkanol compositions and their use as biocides DOW GLOBAL TECHNOLOGIES LLC (US) 2015-03-31 US disclosed
EP-2440047-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES Dow Global Technologies LLC (US) 2012-04-18 EP disclosed
US-20100317744-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES DDP SPECIALTY ELECTRONIC MATERIALS US, LLC. 2010-12-16 US disclosed
WO-2010144511-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES DOW GLOBAL TECHNOLOGIES INC. (US) 2010-12-16 WO disclosed
US-4820428-A NITROALKANOL AND CELLULOSE ETHER BINDER, FOR SULPHATE REDUCING BACTERIA IN GAS AND OIL WELLS OILFIELD SPECIALITY PRODUCTS MANUFACTURING LTD., OF CANADA (CA) 1989-04-11 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 (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-20100317744-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES BLVRB, BCL2A1, CBR1 LMNA 3901/4885ALDH1A1 814/4885KDM4E 3712/4885

“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.