SCHEMBL1170680

SCHEMBL1170680

CCCCCCCCCCCCCCCCCC(CO)(CO)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
SMPD1 P17405 2/20 0.37
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL1117439 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2
SCHEMBL1117483 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2
SCHEMBL1171207 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2
SCHEMBL1170909 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2
SCHEMBL1170931 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2
SCHEMBL1117334 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2
SCHEMBL1117393 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2
SCHEMBL1170874 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2
SCHEMBL1170888 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2
SCHEMBL1170485 1.00 ALDH1A1 (0.43) ALDH1A1GGPS1FDPSSMPD1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-101998948-A Nitrated hydrocarbons, derivatives and processes for their manufacture DOW GLOBAL TECHNOLOGIES INCANGUS CHEMICAL COMPANY 2011-03-30 CN disclosed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 US 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 (4 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 1410/4885GGPS1 693/4885FDPS 265/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885GGPS1 693/4885FDPS 265/4885
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885GGPS1 693/4885FDPS 265/4885
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885GGPS1 693/4885FDPS 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.