SCHEMBL1151111

SCHEMBL1151111

CCCCC(CCC)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CA2 P00918 6/20 0.34
TSHR P16473 3/20 0.33
DNM1 Q05193 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
MAPK1 P28482 1/20 0.32
CA1 P00915 2/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1170388 0.95 ALDH1A1 (0.46) ALDH1A1CA2TSHRDNM1SMN1; SMN2
SCHEMBL1117535 0.94 ALDH1A1 (0.45) ALDH1A1CA2DNM1FDPSCA1
SCHEMBL1170393 0.93 ALDH1A1 (0.43) ALDH1A1CA2FDPSCA1NFKB1
SCHEMBL1117339 0.91 ALDH1A1 (0.46) ALDH1A1CA2FDPSCA1
SCHEMBL1117298 0.91 ALDH1A1 (0.46) ALDH1A1CA2FDPSCA1
SCHEMBL1117451 0.91 ALDH1A1 (0.46) ALDH1A1CA2FDPSCA1
SCHEMBL8672926 0.91 ALDH1A1 (0.46) ALDH1A1CA2FDPSCA1
SCHEMBL1117356 0.91 ALDH1A1 (0.46) ALDH1A1CA2FDPSCA1
SCHEMBL1117360 0.91 ALDH1A1 (0.46) ALDH1A1CA2FDPSCA1
SCHEMBL1117324 0.91 ALDH1A1 (0.46) ALDH1A1CA2FDPSCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2023-01-03 US disclosed
EP-3121162-B1 PROCESS FOR PREPARING NITRATED HYDROCARBONS AND THEIR DERIVATIVES ANGUS CHEMICAL (US) 2021-05-26 EP 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
US-9711604-B1 Loading effect reduction through multiple coat-etch processes TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2017-07-18 US disclosed
EP-3135109-A1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS Chemical Company (US) 2017-03-01 EP disclosed
WO-2011049745-A1 PROCESS FOR THE MANUFACTURE OF NITRATED HYDROCARBONS ANGUS CHEMICAL COMPANY (US) 2011-04-28 WO disclosed
US-20110092750-A1 PROCESS FOR THE MANUFACTURE OF NITRATED HYDROCARBONS ADVANCION CORPORATION 2011-04-21 US 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 1410/4885CA2 4453/4885TSHR 3019/4885
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA2 4453/4885TSHR 3019/4885
US-20110092750-A1 PROCESS FOR THE MANUFACTURE OF NITRATED HYDROCARBONS NOS2, NOS1, NOS3 ALDH1A1 1301/4885CA2 1135/4885TSHR 2910/4885
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA2 4453/4885TSHR 3019/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 ALDH1A1 457/4885CA2 3579/4885TSHR 4318/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA2 4453/4885TSHR 3019/4885
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA2 4453/4885TSHR 3019/4885
US-20110046140-A1 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ADH1C, ADH1A, ADH5 ALDH1A1 28/4885CA2 1958/4885TSHR 3379/4885

“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.