SCHEMBL1703313

SCHEMBL1703313

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
SPHK1 Q9NYA1 2/20 0.46
CYP2D6 P10635 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CETP P11597 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43

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
SCHEMBL3780560 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2SPHK1
SCHEMBL1703599 0.98 LCK (0.46) LCKPPARDZDHHC20ZDHHC2SPHK1
SCHEMBL1702828 0.92 LCK (0.38) LCKPPARDZDHHC20ZDHHC2SPHK1
SCHEMBL1703156 0.84 ALDH1A1 (0.36) LCKPPARDZDHHC20ZDHHC2LMNA
SCHEMBL6381582 0.79 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6380473 0.79 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL15718783 0.79 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6385746 0.78 SPHK1 (0.46) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL8355649 0.77 SPHK1 (0.48) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL9388220 0.76 CYP2D6 (0.50) SPHK1CYP2D6GMNNLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317744-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES DDP SPECIALTY ELECTRONIC MATERIALS US, LLC. 2010-12-16 US 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

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 LCK 2754/4885PPARD 3126/4885ZDHHC20 1698/4885

“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.