SCHEMBL1117320

SCHEMBL1117320

CCCCCCCCC(CCCCCCC)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CA2 P00918 1/20 0.42
GPR84 Q9NQS5 3/20 0.40
FDPS P14324 3/20 0.40
CA1 P00915 2/20 0.40
FFAR1 O14842 1/20 0.40
FAAH O00519 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
DNM1 Q05193 1/20 0.39

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
SCHEMBL1117328 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1
SCHEMBL1117316 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1
SCHEMBL1117335 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1
SCHEMBL1117378 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1
SCHEMBL11880100 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1
SCHEMBL1117330 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1
SCHEMBL1117396 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1
SCHEMBL1117407 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1
SCHEMBL1117326 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1
SCHEMBL1117321 1.00 ALDH1A1 (0.50) ALDH1A1CA2GPR84FDPSCA1

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 22 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 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-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2016-02-11 US claimed
EP-2280927-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-09 EP claimed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 US claimed
WO-2009129097-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2009-10-22 WO 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
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 ALDH1A1 1410/4885CA2 4453/4885GPR84 2233/4885
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA2 4453/4885GPR84 2233/4885
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA2 4453/4885GPR84 2233/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA2 4453/4885GPR84 2233/4885
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA2 4453/4885GPR84 2233/4885
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885CA2 4453/4885GPR84 2233/4885

“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.