SCHEMBL9334375

SCHEMBL9334375

CC(=O)CCC(C)(C)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.33
SLC15A2 Q16348 1/20 0.33
GAA P10253 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
MEN1 O00255 1/20 0.30
BLM P54132 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 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
SCHEMBL31512391 0.87 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNASLC15A2GAA
SCHEMBL31512392 0.87 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNASLC15A2GAA
SCHEMBL44822 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNASLC15A2HMGCR
SCHEMBL9333204 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9348952 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNASLC15A2HMGCR
SCHEMBL18897485 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1
SCHEMBL475682 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAGAAMEN1
SCHEMBL9186999 0.77 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1BLMKMT2A
SCHEMBL3238517 0.77 ALDH1A1 (0.44) ALDH1A1L3MBTL1
SCHEMBL5319006 0.77 ALDH1A1 (0.35) ALDH1A1L3MBTL1LMNASLC15A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024143106-A1 STABILIZED ALKYL-BROMIDE-COMPOUND-CONTAINING LIQUID COMPOSITION AND USE FOR SAME 東ソー株式会社 2024-07-04 WO disclosed
US-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK CORPORATION (JP) 2024-05-16 US disclosed
CN-116981657-A Fluorine-containing compound and contrast agent TDK株式会社 2023-10-31 CN disclosed
WO-2022196734-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK株式会社 2022-09-22 WO disclosed
US-9663546-B2 Metal amides of cyclic amines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-30 US disclosed
US-9663546-B2 Metal amides of cyclic amines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-30 US disclosed
US-20160152649-A1 METAL AMIDES OF CYCLIC AMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-02 US disclosed
US-20160152649-A1 METAL AMIDES OF CYCLIC AMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-02 US disclosed
WO-2015013630-A1 METAL AMIDES OF CYCLIC AMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-01-29 WO disclosed
EP-0301559-B1 Spin castable mixtures useful for making deep-UV contrast enhancement layers MICROSI INC (US) 1994-05-04 EP disclosed
US-5196295-A Spin castable mixtures useful for making deep-UV contrast enhancement layers MICROSI, INC. (US) 1993-03-23 US disclosed
EP-0301559-A2 Spin castable mixtures useful for making deep-UV contrast enhancement layers MicroSi, Inc. (a Delaware corporation) (US) 1989-02-01 EP 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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM AFF1, AFF2, AFF4 ALDH1A1 3844/4885L3MBTL1 1812/4885LMNA 2100/4885
US-20160152649-A1 METAL AMIDES OF CYCLIC AMINES SRM, SMS, NBAS ALDH1A1 4728/4885L3MBTL1 4021/4885LMNA 2770/4885

“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.