SCHEMBL6259348

SCHEMBL6259348

CCC(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GPR35 Q9HC97 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42
CTSD P07339 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL17695756 0.86 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL30331074 0.85 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL11461676 0.85 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL10400828 0.85 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL7153686 0.84 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL267829 0.84 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL12232402 0.84 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL31145677 0.84 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL14599491 0.84 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRMEN1KMT2A
SCHEMBL1123533 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397737-A2 LOW VISCOSITY LOW VOLATILITY LUBRICATING OIL BASE STOCKS AND METHODS OF USE THEREOF ExxonMobil Research and Engineering Company (US) 2018-11-07 EP disclosed
US-10077409-B2 Low viscosity low volatility lubricating oil base stocks and methods of use thereof EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2018-09-18 US disclosed
EP-2821792-B1 Whole proteome tiling microarrays HOFFMANN LA ROCHE (CH) 2017-09-13 EP disclosed
WO-2017116899-A2 LOW VISCOSITY LOW VOLATILITY LUBRICATING OIL BASE STOCKS AND METHODS OF USE THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-07-06 WO disclosed
US-20170183595-A1 LOW VISCOSITY LOW VOLATILITY LUBRICATING OIL BASE STOCKS AND METHODS OF USE THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-29 US disclosed
EP-2686351-B1 METHODS FOR SYNTHESIS OF AN OLIGOPEPTIDE MICROARRAY ROCHE DIAGNOSTICS GMBH (DE) 2017-06-28 EP disclosed
US-9346892-B2 Methods for synthesis of an oligopeptide microarray ROCHE NIMBLE GEN, INC. (US) 2016-05-24 US disclosed
US-20150377898-A1 WHOLE PROTEOME TILING MICROARRAYS ROCHE NIMBLEGEN INC (US) 2015-12-31 US disclosed
EP-2827151-A1 Whole proteome tiling microarrays F. Hoffmann-La Roche AG (CH) 2015-01-21 EP disclosed
EP-2821792-A1 Whole proteome tiling microarrays F. Hoffmann-La Roche AG (CH) 2015-01-07 EP disclosed
US-8658572-B2 Whole proteome tiling microarrays ROCHE NIMBLEGEN, INC. (US) 2014-02-25 US disclosed
CN-102050741-B Process for producing nitroalcohols ROHM & HAAS 2014-02-12 CN disclosed
US-20120245057-A1 WHOLE PROTEOME TILING MICROARRAYS Roche Sequencing Solutions, Inc. 2012-09-27 US disclosed
US-20120238477-A1 METHODS FOR SYNTHESIS OF AN OLIGOPEPTIDE MICROARRAY Roche Sequencing Solutions, Inc. 2012-09-20 US disclosed
CN-102050741-A Process for producing nitroalcohols ROHM & HAAS 2011-05-11 CN disclosed
WO-2005073389-A1 METHOD FOR PRODUCING β-HYDROXY NITRO COMPOUNDS MADE FROM ALDEHYDES AND NITROALKANES WHILE USING A HYDROXY NITRILE LYASE ANGEWANDTE BIOKATALYSE-KOMPETENZZENTRUM GMBH (AT) 2005-08-11 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 (2 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-10077409-B2 Low viscosity low volatility lubricating oil base stocks and methods of use thereof F12, POLH, STK33 ALDH1A1 2324/4885CYP1A2 3719/4885TSHR 2839/4885
US-20170183595-A1 LOW VISCOSITY LOW VOLATILITY LUBRICATING OIL BASE STOCKS AND METHODS OF USE THEREOF F12, POLH, STK33 ALDH1A1 2324/4885CYP1A2 3719/4885TSHR 2839/4885

“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.