SCHEMBL1151359

SCHEMBL1151359

CCCCCC(CC)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.36
OPRM1 P35372 1/20 0.36
FDPS P14324 4/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
LAP3 P28838 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
SCHEMBL1170495 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117323 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117399 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117348 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117322 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117352 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117303 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117382 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117490 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84
SCHEMBL1117351 0.98 ALDH1A1 (0.46) ALDH1A1CA1CA2FDPSGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2023-01-03 US disclosed
EP-3135109-B1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL (US) 2020-02-12 EP disclosed
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2019-10-17 US disclosed
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2019-08-13 US disclosed
US-20180127435-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2018-05-10 US disclosed
US-9890177-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2018-02-13 US disclosed
EP-3135109-A1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS Chemical Company (US) 2017-03-01 EP disclosed
EP-2282634-B1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL (US) 2016-11-23 EP disclosed
CN-102574770-B Process for producing nitrated hydrocarbons 安格斯化学公司 2016-08-17 CN disclosed
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2016-02-11 US disclosed
US-20110092750-A1 PROCESS FOR THE MANUFACTURE OF NITRATED HYDROCARBONS ADVANCION CORPORATION 2011-04-21 US disclosed
CN-102026541-A Improved corrosion and microbial control in hydrocarbonaceous compositions ANGUS CHEMICAL 2011-04-20 CN disclosed
CN-102026542-A Aminoalcohol and biocide compositions for aqueous based systems ANGUS CHEMICAL 2011-04-20 CN disclosed
EP-2299811-A1 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS ANGUS CHEMICAL COMPANY (US) 2011-03-30 EP disclosed
US-20110041387-A1 CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS ADVANCION CORPORATION 2011-02-24 US disclosed
US-20110046140-A1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ADVANCION CORPORATION 2011-02-24 US disclosed
EP-2282634-A2 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL COMPANY (US) 2011-02-16 EP disclosed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 US disclosed
WO-2009140062-A1 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS ANGUS CHEMICAL COMPANY (US) 2009-11-19 WO disclosed
WO-2009140061-A2 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL COMPANY (US) 2009-11-19 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 (8 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-20180127435-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA1 4572/4885CA2 4453/4885
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA1 4572/4885CA2 4453/4885
US-20110092750-A1 PROCESS FOR THE MANUFACTURE OF NITRATED HYDROCARBONS NOS2, NOS1, NOS3 ALDH1A1 1301/4885CA1 1614/4885CA2 1135/4885
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA1 4572/4885CA2 4453/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA1 4572/4885CA2 4453/4885
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA1 4572/4885CA2 4453/4885
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA1 4572/4885CA2 4453/4885
US-20110046140-A1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ADH1C, ADH1A, ADH5 ALDH1A1 28/4885CA1 1749/4885CA2 1958/4885

“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.