SCHEMBL1117469

SCHEMBL1117469

CCCCCC(CO)(CCC)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.35
FDPS P14324 11/20 0.35
GGPS1 O95749 7/20 0.35
CES2 O00748 2/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
SMPD1 P17405 1/20 0.33
CES1 P23141 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
SCHEMBL1117379 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1
SCHEMBL1117373 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1
SCHEMBL1117790 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1
SCHEMBL1117406 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1
SCHEMBL1117305 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1
SCHEMBL1117342 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1
SCHEMBL1117429 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1
SCHEMBL1117381 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1
SCHEMBL1117338 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1
SCHEMBL1117417 0.98 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2LPAR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121162-B1 PROCESS FOR PREPARING NITRATED HYDROCARBONS AND THEIR DERIVATIVES ANGUS CHEMICAL (US) 2021-05-26 EP 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
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 ALDH1A1 1410/4885LMNA 1670/4885FDPS 265/4885
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885LMNA 1670/4885FDPS 265/4885
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885LMNA 1670/4885FDPS 265/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885LMNA 1670/4885FDPS 265/4885
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885LMNA 1670/4885FDPS 265/4885
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885LMNA 1670/4885FDPS 265/4885

“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.