SCHEMBL1117344

SCHEMBL1117344

CCCCCCCCCC[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.44
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
TDP1 Q9NUW8 1/20 0.39
DNM1 Q05193 1/20 0.38
EPHX2 P34913 1/20 0.36
PPARG P37231 5/20 0.35
PPARA Q07869 1/20 0.35
TRPA1 O75762 1/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL31325309 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL264832 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL30906963 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL1117292 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL491198 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL1117388 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL264639 1.00
SCHEMBL1117329 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL1117312 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL30906969 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1

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 95 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 claimed
EP-3121162-B1 PROCESS FOR PREPARING NITRATED HYDROCARBONS AND THEIR DERIVATIVES ANGUS CHEMICAL (US) 2021-05-26 EP claimed
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2019-10-17 US claimed
US-20180127435-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2018-05-10 US claimed
EP-3121162-A1 NITRATED HYDROCARBONS AND DERIVATIVES ANGUS CHEMICAL COMPANY (US) 2017-01-25 EP claimed
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ADVANCION CORPORATION 2016-02-11 US claimed
CN-101998948-A Nitrated hydrocarbons, derivatives and processes for their manufacture DOW GLOBAL TECHNOLOGIES INCANGUS CHEMICAL COMPANY 2011-03-30 CN claimed
EP-2280927-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-09 EP claimed
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2011-02-03 US claimed
WO-2009129097-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE ANGUS CHEMICAL COMPANY (US) 2009-10-22 WO claimed
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
US-12360021-B2 Graphene oxide affinity sample grids for Cyro-EM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-07-15 US disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed
US-4730070-A PASSIVATION OF TITANIUM CATALYST ETHYL CORPORATION (US) 1988-03-08 US disclosed
US-4316025-A STABVILIZERS FOR POLYMERS CHIMOSA CHIMICA ORGANICA S.P.A. (IT) 1982-02-16 US disclosed
US-4066699-A PROCESS FOR THE HYDROGENATION OF NITRATED PARAFFINS USING A PALLADIUM ON CARBON CATALYST CHARACTERIZED BY A LOW ASH AND A LOW HALIDE CONTENT TEXACO INC. (US) 1978-01-03 US disclosed
US-4058540-A FROM A NITROALKYL NITRATE OR NITRO ALCOHOL AND ALKANOIC ACID, CALCIUM OCIDE OR CARBOXYLATE CATALYST TEXACO INC. (US) 1977-11-15 US disclosed
US-3987090-A HYDROXY ESTERS OF ACRYLIC AND METHACRYLIC ACIDS ROHM GMBH (DT) 1976-10-19 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 (7 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 1410/4885TSHR 3019/4885THRB 2729/4885
US-11542277-B2 Nitrated hydrocarbons, derivatives, and processes for their manufacture NOS2, NOS1, NOS3 ALDH1A1 1410/4885TSHR 3019/4885THRB 2729/4885
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use SLC10A1, HNMT, OGFR ALDH1A1 317/4885TSHR 1150/4885THRB 1325/4885
US-20190315768-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885TSHR 3019/4885THRB 2729/4885
US-20110028732-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885TSHR 3019/4885THRB 2729/4885
US-20160039843-A1 NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE NOS2, NOS1, NOS3 ALDH1A1 1410/4885TSHR 3019/4885THRB 2729/4885
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS ALDH1A1 3909/4885TSHR 1853/4885THRB 1425/4885

“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.