SCHEMBL23684580

SCHEMBL23684580

O=C(O)COC(=O)COCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.65
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 2/20 0.43

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
SCHEMBL419807 0.89 ALDH1A1 (0.66) PAMALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL231282 0.86 TSHR (0.61) PAMALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL6416798 0.85 ALDH1A1 (0.61) PAMALDH1A1MAPK1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL7053203 0.84 TSHR (0.58) PAMALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL4226282 0.84 TSHR (0.58) PAMALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL52219 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1TSHRTDP1
SCHEMBL3439041 0.83 ALDH1A1 (0.63) PAMALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL11632800 0.82 TSHR (0.56) PAMALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL11907176 0.82 ALDH1A1 (0.58) PAMALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL5446199 0.82 ALDH1A1 (0.46) PAMALDH1A1MAPK1L3MBTL1TSHR

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-20210230205-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2021-07-29 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-20210230205-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS SERPINB1, KLKB1, MPO PAM 1576/4885ALDH1A1 833/4885MAPK1 3468/4885

“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.