SCHEMBL2015296

SCHEMBL2015296

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
DGAT1 O75907 2/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
VCAM1 P19320 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7774827 0.82 ALDH1A1 (0.48) ALDH1A1NPSR1CYP2C19POLBDGAT1
SCHEMBL7666475 0.82 ALDH1A1 (0.48) ALDH1A1NPSR1CYP2C19POLBDGAT1
SCHEMBL7772642 0.82 ALDH1A1 (0.48) ALDH1A1NPSR1CYP2C19POLBDGAT1
SCHEMBL2014486 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL2015730 0.79 ALDH1A1 (0.50) ALDH1A1CYP2C19BCHEACHE
SCHEMBL4737789 0.78 ALDH1A1 (0.48) ALDH1A1BCHEACHE
Silver SCHEMBL2232380 0.78 ALDH1A1 (0.48) ALDH1A1NPSR1BCHEACHE
SCHEMBL10157896 0.78 ALDH1A1 (0.48) ALDH1A1BCHEACHE
SCHEMBL2010219 0.78 ALDH1A1 (0.48) ALDH1A1BCHEACHE
SCHEMBL28674397 0.77 ALDH1A1 (0.39) ALDH1A1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4175943-B1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS BEIJING CO LTD (CN) 2026-02-11 EP disclosed
WO-2025040778-A1 RUMINANT FEED ADDITIVE COMPOSITIONS HAVING METHANE INHIBITION PROPERTIES YARA INTERNATIONAL ASA (NO) 2025-02-27 WO disclosed
EP-4512251-A1 RUMINANT FEED ADDITIVE COMPOSITIONS HAVING METHANE INHIBITION PROPERTIES Yara International ASA (NO) 2025-02-26 EP disclosed
US-11987556-B2 Dual-functional compounds and methods of use BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2024-05-21 US disclosed
US-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2023-06-08 US disclosed
CN-113767104-A Bifunctional compounds and methods of use thereof 百放英库医药科技(北京)有限公司 2021-12-07 CN disclosed
US-9365489-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2016-06-14 US disclosed
US-8784871-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2014-07-22 US disclosed
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2014-05-15 US disclosed
EP-2509435-B1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2014-02-26 EP disclosed
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-12-13 US disclosed
EP-2509435-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2012-10-17 EP disclosed
WO-2011070133-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2011-06-16 WO disclosed
WO-2008075152-A1 1- [4- (SULFONYL) -PHENYL] -5- (BENZYL) -IH-I, 2, 4-TRIAZOL DERIVATIVES AS INHIBITORS OF CARBONIC ANHYDRASE FOR TREATING GLAUCOMA OR OCULAR HYPERTENSION PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed
WO-2008075152-A1 1- [4- (SULFONYL) -PHENYL] -5- (BENZYL) -IH-I, 2, 4-TRIAZOL DERIVATIVES AS INHIBITORS OF CARBONIC ANHYDRASE FOR TREATING GLAUCOMA OR OCULAR HYPERTENSION PFIZER PRODUCTS INC. (US) 2008-06-26 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 (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-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 ALDH1A1 2126/4885NPSR1 973/4885CYP2C19 702/4885
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 ALDH1A1 2126/4885NPSR1 973/4885CYP2C19 702/4885
US-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE PDE1A, PDE3B, PDE1B ALDH1A1 471/4885NPSR1 1355/4885CYP2C19 750/4885
US-11987556-B2 Dual-functional compounds and methods of use PDE1A, PDE3B, PDE1B ALDH1A1 471/4885NPSR1 1355/4885CYP2C19 750/4885

“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.