SCHEMBL8953589

SCHEMBL8953589

Nc1ccc(CC(O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
LAP3 P28838 1/20 0.53
F2 P00734 1/20 0.52
PLAU P00749 1/20 0.52
PLAT P00750 1/20 0.52
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTRB1 P17538 2/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL8953583 1.00 LTA4H (0.53) LTA4HLAP3F2PLAUPLAT
SCHEMBL4219709 0.90 ALDH1A1 (0.55) LTA4HLAP3ALDH1A1L3MBTL1MAPK1
SCHEMBL7046944 0.90 ALDH1A1 (0.55) LTA4HLAP3ALDH1A1L3MBTL1MAPK1
SCHEMBL262278 0.90 ALDH1A1 (0.55) LTA4HLAP3ALDH1A1L3MBTL1MAPK1
SCHEMBL19088598 0.87 LMNA (0.56) LTA4HLAP3ALDH1A1L3MBTL1MAPK1
SCHEMBL23279460 0.84 PPARG (0.52) LTA4HLAP3ALDH1A1L3MBTL1MAPK1
SCHEMBL18256456 0.84 LTA4H (0.50) LTA4HLAP3ALDH1A1RAB9AL3MBTL1
SCHEMBL7228873 0.84 PPARG (0.52) LTA4HLAP3ALDH1A1L3MBTL1MAPK1
SCHEMBL18407490 0.84 ALDH1A1 (0.50) LTA4HLAP3ALDH1A1RAB9AL3MBTL1
SCHEMBL22502779 0.84 ALDH1A1 (0.50) LTA4HLAP3ALDH1A1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
CN-1061039-C Cyclodepsipeptide compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-01-24 CN disclosed
CN-1039331-C Depsispeptide derivative, preparation and application of same FUJISAMA PHARMACEUTICAL CO LTD (JP) 1998-07-29 CN disclosed
CN-1133592-A Cyclic Depsipeptide Compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-16 CN disclosed
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed
CN-1080932-A Depsipeptide derivative and manufacture method thereof and purposes FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-19 CN 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-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 LTA4H 1107/4885LAP3 1403/4885F2 1189/4885

“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.