SCHEMBL6546883

SCHEMBL6546883

NC(O)CC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SLC15A1 P46059 2/20 0.58
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CDC25B P30305 1/20 0.49
LTA4H P09960 1/20 0.48
LAP3 P28838 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL27718614 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL4923256 0.87 SLC15A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
Hydrochloric Acid SCHEMBL27518479 0.86 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
Hydrochloric Acid SCHEMBL19511476 0.86 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL25749274 0.85 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL6153568 0.85 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL7713482 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL589202 0.84 SLC15A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL5898461 0.84 SLC15A1 (0.65) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL6566591 0.84 SLC15A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696500-B2 BIOACTIVE SUBSTANCE HAVING ACIDIC GROUP AND A BIODEGRADABLE POLYMER HAVING AN OPTIONALLY PROTECTED BASIC GROUP, SUCH AS A POLYLACTONE THAT HAS BEEN ESTERIFIED, AMIDATED, OR THIOESTERIFIED WITH A COMPOUND HAVING CYCLIC AMINO GROUPS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-24 US disclosed
EP-0815853-B1 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-21 EP disclosed
US-20010038854-A1 Sustained-release preparation TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed
US-6264970-B1 BIODEGRADABLE POLYMER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-0815853-A2 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-07 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 (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-20010038854-A1 Sustained-release preparation BMP2, PGF, AREG ALDH1A1 2581/4885MAPK1 4431/4885L3MBTL1 3646/4885

“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.