SCHEMBL1117643

SCHEMBL1117643

CCCCCCCCCCCCCC1(CCC)COCN1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL1117578 1.00 GAA (0.33) GAASIRT2
SCHEMBL1117545 1.00 GAA (0.33) GAASIRT2
SCHEMBL1117748 1.00 GAA (0.33) GAASIRT2
SCHEMBL1117554 1.00 GAA (0.33) GAASIRT2
SCHEMBL1117914 1.00 GAA (0.33) GAASIRT2
SCHEMBL1117652 1.00 GAA (0.33) GAASIRT2
SCHEMBL1117495 1.00 GAA (0.33) GAASIRT2
SCHEMBL1117715 1.00 GAA (0.33) GAASIRT2
SCHEMBL1117434 0.98 GAA (0.31) GAA
SCHEMBL1117620 0.96 GAA (0.35) GAASIRT2

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 19 patents. 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 claimed
EP-3121162-B1 PROCESS FOR PREPARING NITRATED HYDROCARBONS AND THEIR DERIVATIVES ANGUS CHEMICAL (US) 2021-05-26 EP claimed
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2019-10-17 US claimed
US-20180127435-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2018-05-10 US claimed
EP-3121162-A1 NITRATED HYDROCARBONS AND DERIVATIVES ANGUS CHEMICAL COMPANY (US) 2017-01-25 EP claimed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 US claimed
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
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-3121162-A1 NITRATED HYDROCARBONS AND DERIVATIVES ANGUS CHEMICAL COMPANY (US) 2017-01-25 EP disclosed
EP-2280927-B1 PROCESSES FOR THE MANUFACTURE OF NITROBUTANE AND ITS DERIVATIVES ANGUS CHEMICAL (US) 2016-11-02 EP disclosed
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2016-02-11 US disclosed
US-9187436-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture ANGUS CHEMICAL COMPANY (US) 2015-11-17 US disclosed
EP-2280927-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-09 EP disclosed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 US disclosed
WO-2009129097-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2009-10-22 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 (6 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 GAA 3055/4885SIRT2 2586/4885
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 GAA 3055/4885SIRT2 2586/4885
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 GAA 3055/4885SIRT2 2586/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 GAA 3055/4885SIRT2 2586/4885
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 GAA 3055/4885SIRT2 2586/4885
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 GAA 3055/4885SIRT2 2586/4885

“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.