SCHEMBL1824329

SCHEMBL1824329

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.36
CA1 P00915 3/20 0.35
SPHK1 Q9NYA1 2/20 0.35
POLB P06746 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL6385746 0.92 SPHK1 (0.46) CA2ALDH1A1SPHK1POLBCYP2D6
SCHEMBL6338975 0.88 LMNA (0.40) ALDH1A1TSHRLMNACYP3A4
SCHEMBL27957747 0.81 CYP2D6 (0.47) ALDH1A1CA1SPHK1POLBCYP2D6
SCHEMBL27957748 0.81 CYP2D6 (0.47) ALDH1A1CA1SPHK1POLBCYP2D6
SCHEMBL1650676 0.81 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL9250888 0.80 TSHR (0.36) ALDH1A1TSHR
SCHEMBL10454484 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9388220 0.79 CYP2D6 (0.50) ALDH1A1SPHK1POLBCYP2D6GMNN
SCHEMBL6381031 0.78 GPR84 (0.38) CA2ALDH1A1CA1SPHK1POLB
SCHEMBL14166691 0.78 SPHK1 (0.36) CA2ALDH1A1SPHK1POLBCYP2D6

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120864997-A Continuous process for preparing 3-nitro-4-octanol by catalysis 河北旭阳能源有限公司 2025-10-31 CN disclosed
CN-120864997-A Continuous process for preparing 3-nitro-4-octanol by catalysis 河北旭阳能源有限公司 2025-10-31 CN disclosed
US-9670134-B2 Synthesis of (2-nitro)alkyl (meth)acrylates via transesterification of (meth)acrylate esters ANGUS CHEMICAL COMPANY (US) 2017-06-06 US disclosed
EP-2117300-B1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL (US) 2017-04-19 EP disclosed
US-20160046558-A1 SYNTHESIS OF (2-NITRO)ALKYL (METH)ACRYLATES VIA TRANSESTERIFICATION OF (METH)ACRYLATE ESTERS ADVANCION CORPORATION 2016-02-18 US disclosed
US-9034929-B2 Aminoalcohol and biocide compositions for aqueous based systems ANGUS CHEMICAL COMPANY (US) 2015-05-19 US disclosed
WO-2014158445-A1 SYNTHESIS OF (2-NITRO)ALKYL (METH)ACRYLATES VIA TRANSESTERIFICATION OF (METH)ACRYLATE ESTERS ROHM AND HAAS COMPANY (US) 2014-10-02 WO disclosed
CN-102050741-B Process for producing nitroalcohols ROHM & HAAS 2014-02-12 CN disclosed
CN-101631457-B Amino alcohol and biocide compositions for aqueous based systems ANGUS CHEMICAL COMPNAY 2013-09-25 CN disclosed
EP-2319823-B1 Process for producing nitroalcohols ROHM & HAAS (US) 2013-01-23 EP disclosed
EP-2319823-A1 Process for producing nitroalcohols Rohm and Haas Company (US) 2011-05-11 EP disclosed
US-20110105804-A1 Process for producing nitroalcohols ADVANCION CORPORATION 2011-05-05 US disclosed
CN-101917847-A Corrosion that improves in the hydrocarbonaceous compositions and control of microorganisms DOW GLOBAL TECHNOLOGIES INC 2010-12-15 CN disclosed
EP-2244570-A2 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS Dow Global Technologies Inc. (US) 2010-11-03 EP disclosed
US-20100242341-A1 CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC 2010-09-30 US disclosed
US-20100093736-A1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL COMPANY (US) 2010-04-15 US disclosed
CN-101631457-A Amino alcohol and biocide compositions for aqueous based systems ANGUS CHEMICAL 2010-01-20 CN disclosed
EP-2117300-A2 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL COMPANY (US) 2009-11-18 EP disclosed
WO-2009085552-A2 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed
WO-2008088632-A2 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL COMPANY (US) 2008-07-24 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-20160046558-A1 SYNTHESIS OF (2-NITRO)ALKYL (METH)ACRYLATES VIA TRANSESTERIFICATION OF (METH)ACRYLATE ESTERS NAT1, NOS2, NOS1 CA2 4385/4885ALDH1A1 43/4885MAPK1 1158/4885
US-20100093736-A1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ADH1C, ADH1A, ADH5 CA2 1967/4885ALDH1A1 31/4885MAPK1 546/4885

“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.