SCHEMBL1703156

SCHEMBL1703156

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 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
SCHEMBL1702828 0.88 LCK (0.38) ALDH1A1HPGDHIF1ALMNACYP3A4
SCHEMBL1703599 0.86 LCK (0.46) ALDH1A1LMNACYP3A4NFKB1LCK
SCHEMBL3780560 0.84 LCK (0.48) ALDH1A1LMNACYP3A4LCKPPARD
SCHEMBL1703313 0.84 LCK (0.48) ALDH1A1LMNACYP3A4LCKPPARD
SCHEMBL3770475 0.82
SCHEMBL6350861 0.76 LMNA (0.37) ALDH1A1LMNATSHRCYP3A4NFKB1
SCHEMBL6381596 0.76 LMNA (0.37) ALDH1A1LMNATSHRCYP3A4NFKB1
SCHEMBL17366581 0.76 LMNA (0.37) ALDH1A1LMNATSHRCYP3A4NFKB1
SCHEMBL1703855 0.75
SCHEMBL6338975 0.74 LMNA (0.40) ALDH1A1LMNATSHRCYP3A4NFKB1

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 7 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
US-20100317744-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES DDP SPECIALTY ELECTRONIC MATERIALS US, LLC. 2010-12-16 US disclosed
US-4576625-A BROMO-INTRO COMPOUNDS HULS AKTIENGESELLSCHAFT (DE) 1986-03-18 US disclosed
US-4113444-A HALONITRO ALCOHOLS GULF RESEARCH & DEVELOPMENT CO. (US) 1978-09-12 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 ALDH1A1 814/4885HPGD 994/4885HIF1A 3935/4885

“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.