SCHEMBL20061759

SCHEMBL20061759

CCCC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 4/20 0.40
FFAR3 O14843 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL20061760 1.00 ALDH1A1 (0.41) ALDH1A1LMNAFFAR3HDAC3HDAC1
SCHEMBL4622341 0.92 ALDH1A1 (0.48) ALDH1A1LMNAFFAR3HDAC3HDAC1
SCHEMBL18651161 0.92 ALDH1A1 (0.48) ALDH1A1LMNAFFAR3HDAC3HDAC1
SCHEMBL12014965 0.89 LMNA (0.50) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL675633 0.87 LMNA (0.58) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL465548 0.86 LMNA (0.61) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL454068 0.86 LMNA (0.61) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL465547 0.86 LMNA (0.61) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL19931336 0.86 LMNA (0.61) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL18206768 0.86 LMNA (0.61) ALDH1A1LMNAMAPTMAPK1PRKCA

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-20180104350-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-04-19 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 (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-20180104350-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 ALDH1A1 1010/4885LMNA 1688/4885FFAR3 132/4885

“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.