SCHEMBL4153594

SCHEMBL4153594

CC(=O)OCCC[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
TSHR P16473 1/20 0.40
GALR3 O60755 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL11429849 0.94 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL10774661 0.92 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL742283 0.86
Acetic Acid Butyl Ester SCHEMBL10748021 0.84 ALDH1A1 (0.67) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL11458286 0.79 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL8593227 0.78 ALDH1A1 (0.39) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL2547168 0.77 PTGS2 (0.54) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL21105278 0.77 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3PGR
Acetic Acid Butyl Ester SCHEMBL28147997 0.77 ALDH1A1 (0.75) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL189930 0.75 ALDH1A1 (0.74) ALDH1A1CHRM5CHRM1CHRM3PGR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE HANSEN PETER 2009-05-21 US disclosed
EP-1861370-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006098683-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-09-21 WO disclosed
EP-0529436-B1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO LTD (JP) 1998-06-03 EP disclosed
EP-0464612-B1 Silver halide photographic materials FUJI PHOTO FILM CO LTD (JP) 1998-05-13 EP disclosed
EP-0517214-B1 Silver halide color photographic light-sensitive material, and method of processing the same FUJI PHOTO FILM CO LTD (JP) 1998-01-07 EP disclosed
US-5630927-A DEVELOPMENT INHIBITOR RELEASING COUPLERS, COLOR FILMS, IMPROVED SHARPNESS, GRAININESS, STORAGE STABILITY, COLOR REPRODUCIBILITY FUJI PHOTO FILM CO., LTD. (JP) 1997-05-20 US disclosed
US-5547824-A CONTAINING SILVER HALIDE GRAINS HAVING LOWER SILVER IODIDE CONTENT ON SURFACES, COMPOUND CAPABLE OF RELEASING PHOTOGRAPHICALLY USEFUL GROUP THROUGH TIMING GROUP FUJI PHOTO FILM CO., LTD. (JP) 1996-08-20 US disclosed
US-5529894-A PYRAZOLOAZOLE BASED MAGENTA COUPLER, TIMING COUPLER; SHARPNESS, DESILVERING PROPERTIES FUJI PHOTO FILM CO., LTD. (JP) 1996-06-25 US disclosed
US-5422231-A Exposure function FUJI PHOTO FILM CO., LTD. (JP) 1995-06-06 US disclosed
US-5403703-A Containing pyrazoloazole coupler and timing development inhibitor-releasing coupler; sharpness, color reproducibility, desilvering properties FUJI PHOTO FILM CO., LTD. (JP) 1995-04-04 US disclosed
US-5350666-A Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1994-09-27 US disclosed
US-5306603-A Containing specified compound releasing photographically useful group and yellow-colored cyan coupler FUJI PHOTO FILM CO., LTD. (JP) 1994-04-26 US disclosed
EP-0529436-A1 Silver halide color photographic light-sensitive material, and method of processing the same FUJI PHOTO FILM CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0523451-A1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1993-01-20 EP disclosed
EP-0517214-A1 Silver halide color photographic light-sensitive material, and method of processing the same FUJI PHOTO FILM CO., LTD. (JP) 1992-12-09 EP disclosed
EP-0464612-A1 Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1992-01-08 EP disclosed
US-4119646-A Hexahydrobenzofuranone compounds MOBIL OIL CORPORATION (US) 1978-10-10 US disclosed
US-4011239-A MANGANESE, VANADIUM, CERIUM MOBIL OIL CORPORATION (US) 1977-03-08 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 (1 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-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO ALDH1A1 1548/4885CHRM5 837/4885CHRM1 251/4885

“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.