SCHEMBL24768581

SCHEMBL24768581

CCOC(=O)CCCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALOX5 P09917 1/20 0.57
LMNA P02545 1/20 0.55
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
LTA4H P09960 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ABCB1 P08183 1/20 0.49
TOP2A P11388 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
PPID Q08752 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL28016562 0.97 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
SCHEMBL27493267 0.93 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
SCHEMBL3963428 0.91 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1LMNATDP1
Hydrochloric Acid SCHEMBL28852620 0.89 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL133636 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
SCHEMBL8492777 0.87 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL18673 0.87 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL10031001 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
Benzyl Carbamate SCHEMBL11051966 0.87 ALOX5 (0.49) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
SCHEMBL8988940 0.87 ALOX5 (0.49) ALDH1A1MAPK1L3MBTL1ALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2022-12-22 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-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS PTGER1, PTGIS, PTGIR ALDH1A1 875/4885MAPK1 567/4885L3MBTL1 4318/4885

“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.