SCHEMBL5014403

SCHEMBL5014403

O=C(OCc1ccccc1)[C@H](O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 3/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP12 P39900 1/20 0.47
DPP4 P27487 1/20 0.46
LMNA P02545 2/20 0.46
HCAR2 Q8TDS4 1/20 0.46
LTA4H P09960 1/20 0.44
LAP3 P28838 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
CNR2 P34972 1/20 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
SCHEMBL5014406 1.00 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7373327 1.00 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27410029 0.91 KMT2A (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL21447860 0.91 PPARG (0.50) ALDH1A1KMT2AMMP12LMNA
SCHEMBL21447925 0.87 MGLL (0.46) KMT2AMMP12LTA4H
SCHEMBL22651565 0.87 L3MBTL1 (0.53) L3MBTL1MMP12LTA4HLAP3
SCHEMBL22502746 0.87 MMP12 (0.50) ALDH1A1KMT2AMMP12HCAR2
SCHEMBL19244967 0.87 POLB (0.47) ALDH1A1L3MBTL1KMT2AMMP12LMNA
SCHEMBL28893772 0.86 HCAR2 (0.51) ALDH1A1TDP1MAPK1L3MBTL1MMP12
SCHEMBL27743535 0.86 HCAR2 (0.51) ALDH1A1TDP1MAPK1L3MBTL1MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 US disclosed
US-7323489-B2 Proline ester and preparation containing the same for percutaneous administration TOAEIYO LTD. (JP) 2008-01-29 US disclosed
US-7323489-B2 Proline ester and preparation containing the same for percutaneous administration TOAEIYO LTD. (JP) 2008-01-29 US disclosed
US-20050288232-A1 Proline ester and preparation containing the same for percutaneous administration TOAEIYO LTD (JP) 2005-12-29 US disclosed
EP-1538158-A1 PROLINE ESTER AND PREPARATION CONTAINING THE SAME FOR PERCUTANEOUS ADMINISTRATION Toaeiyo Ltd. (JP) 2005-06-08 EP disclosed
US-5703092-A TREATING ARTHRITIS, OTHER INFLAMMATORY DISEASES MEDIATED BY MATRIX METALLOPROTEINASE AND/OR TUMOR NECROSIS FACTOR THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-30 US disclosed
EP-0495822-A1 CARBOXYALKYL DIPEPTIDE INHIBITORS OF ENDOPEPTIDASES SCHERING CORPORATION (US) 1992-07-29 EP disclosed
US-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
WO-1991005796-A1 CARBOXYALKYL DIPEPTIDE INHIBITORS OF ENDOPEPTIDASES SCHERING CORPORATION (US) 1991-05-02 WO 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 (2 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-20050288232-A1 Proline ester and preparation containing the same for percutaneous administration AGTR1, NPPA, NPR1 ALDH1A1 770/4885TDP1 2214/4885MAPK1 1174/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 3037/4885TDP1 1835/4885MAPK1 3054/4885

“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.