SCHEMBL11058962

SCHEMBL11058962

CCCC(C)CO[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.34
PTGS2 P35354 1/20 0.32

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
SCHEMBL8460569 0.88 ALDH1A1 (0.37) TSHRALDH1A1PTGS2
SCHEMBL11059074 0.86 ACE2 (0.39) ALDH1A1
SCHEMBL12433420 0.84 ALDH1A1 (0.42) TSHRALDH1A1PTGS2
SCHEMBL11062410 0.82
SCHEMBL2920483 0.81 CA12 (0.31)
SCHEMBL11056552 0.81 ALDH1A1 (0.33) ALDH1A1PTGS2
SCHEMBL11058855 0.81 TSHR (0.34) TSHRALDH1A1
SCHEMBL1922340 0.80 CA12 (0.42) TSHRALDH1A1
SCHEMBL2739371 0.78 ALDH1A1 (0.35) ALDH1A1PTGS2
SCHEMBL11058053 0.77 ACE2 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113337316-A Preparation method of high-cleanness alcohol ether fuel 贵州鑫强环保燃料有限公司 2021-09-03 CN claimed
CN-113337316-A Preparation method of high-cleanness alcohol ether fuel 贵州鑫强环保燃料有限公司 2021-09-03 CN disclosed
US-7858665-B2 Drugs for chronic pain NICOX S.A. (FR) 2010-12-28 US disclosed
US-7812039-B2 analgesic drug for treating neuropathic pain is selected from gabapentine, norvaline, pregabaline, (S)3-isobutylGABA, arginine, thiocitrulline, agmantine, vigabatrin etc. and a NO donar drugs belonging to the classes of aspirin, ibuprofen, paracetamol, naproxen, diclofenac or flurbiprofen NICOX S.A. (FR) 2010-10-12 US disclosed
US-20090239832-A1 DRUGS FOR CHRONIC PAIN NICOX SA (FR) 2009-09-24 US disclosed
US-7524836-B2 Nitrooxyderivative steroidal compounds NICOX S.A. (FR) 2009-04-28 US disclosed
US-7378412-B2 Pharmaceutical compounds NICOX S.A. (FR) 2008-05-27 US disclosed
US-20080113950-A1 Drugs for chronic pains NICOX S.A. 2008-05-15 US disclosed
US-20070142342-A1 Pharmaceutical compounds NICOX S.A. 2007-06-21 US disclosed
US-7186708-B2 Steroidal compounds NICOX S.A. (FR) 2007-03-06 US disclosed
US-4448587-A ALKYL NITRATES AND ALKOXYALKYL NITRATES AS ADDITIVES ETHYL CORPORATION (US) 1984-05-15 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 (3 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-20090239832-A1 DRUGS FOR CHRONIC PAIN OPRK1, OPRL1, OPRD1 TSHR 2361/4885ALDH1A1 671/4885PTGS2 429/4885
US-20070142342-A1 Pharmaceutical compounds CYP11B2, CYP11B1, CYP2S1 TSHR 1073/4885ALDH1A1 392/4885PTGS2 95/4885
US-20080113950-A1 Drugs for chronic pains OPRD1, OPRL1, OPRK1 TSHR 1671/4885ALDH1A1 304/4885PTGS2 61/4885

“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.