SCHEMBL899244

SCHEMBL899244

O=[N+]([O-])C1(CO)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1117432 1.00 TSHR (0.30) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL28829489 1.00 TSHR (0.30) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL4933544 0.98 ALDH1A1 (0.31) ALDH1A1
Methylamine SCHEMBL11565513 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9416346 0.80 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL9174583 0.78 KCNA4 (0.32) ALDH1A1
SCHEMBL13978035 0.76 MME (0.31)
SCHEMBL29170291 0.76 CYP2D6 (0.35) TSHRCYP2C19
SCHEMBL8687065 0.74
SCHEMBL13977379 0.73 MME (0.31)

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 70 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 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-9670134-B2 Synthesis of (2-nitro)alkyl (meth)acrylates via transesterification of (meth)acrylate esters ANGUS CHEMICAL COMPANY (US) 2017-06-06 US disclosed
US-9670134-B2 Synthesis of (2-nitro)alkyl (meth)acrylates via transesterification of (meth)acrylate esters ANGUS CHEMICAL COMPANY (US) 2017-06-06 US disclosed
US-9670134-B2 Synthesis of (2-nitro)alkyl (meth)acrylates via transesterification of (meth)acrylate esters ANGUS CHEMICAL COMPANY (US) 2017-06-06 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP disclosed
CN-1993327-A 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO (JP) 2007-07-04 CN disclosed
CN-1070199-C Oligomeric sterically hindered polyamide crosslinkers and coating compositions containing the same AKZO NOBEL NV (NL) 2001-08-29 CN disclosed
US-5712363-A REDUCED VOC, AUTOMOTIVE FINISHES, REACTIVE WITH ACRYLIC POLYMER AKZO NOBEL NV (NL) 1998-01-27 US disclosed
EP-0678105-B1 OLIGOMERIC STERICALLY HINDERED POLYAMIDE CROSSLINKERS AND COATING COMPOSITIONS CONTAINING THE SAME AKZO NOBEL NV (NL) 1997-12-03 EP disclosed
CN-1115985-A Oligomeric sterically hindered polyamide crosslinkers and coating compositions containing the same AKZO NV (NL) 1996-01-31 CN disclosed
EP-0678105-A1 OLIGOMERIC STERICALLY HINDERED POLYAMIDE CROSSLINKERS AND COATING COMPOSITIONS CONTAINING THE SAME Akzo Nobel N.V. (NL) 1995-10-25 EP disclosed
WO-1994015974-A1 OLIGOMERIC STERICALLY HINDERED POLYAMIDE CROSSLINKERS AND COATING COMPOSITIONS CONTAINING THE SAME AKZO N.V. (NL) 1994-07-21 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 (5 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 TSHR 3019/4885USP2 1545/4885ALDH1A1 1410/4885
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 TSHR 3019/4885USP2 1545/4885ALDH1A1 1410/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 TSHR 1109/4885USP2 3777/4885ALDH1A1 4132/4885
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 TSHR 3019/4885USP2 1545/4885ALDH1A1 1410/4885
US-10377771-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 TSHR 3019/4885USP2 1545/4885ALDH1A1 1410/4885

“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.