SCHEMBL6510253

SCHEMBL6510253

CC(=O)C(CC(=O)O)c1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
MMP13 P45452 2/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 2/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37

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
SCHEMBL28219425 0.85 L3MBTL1 (0.59) ESR1L3MBTL1ALDH1A1GAAPOLB
SCHEMBL25575127 0.81 GABBR2 (0.50) ESR1ESR2L3MBTL1ALDH1A1GAA
SCHEMBL5918571 0.81 GABBR2 (0.50) ESR1ESR2L3MBTL1ALDH1A1GAA
SCHEMBL20342100 0.81 GABBR2 (0.50) ESR1ESR2L3MBTL1ALDH1A1GAA
SCHEMBL25575108 0.80 L3MBTL1 (0.49) ESR1ESR2L3MBTL1ALDH1A1GAA
SCHEMBL3274728 0.79 ALDH1A1 (0.51) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL5073702 0.78 FFAR1 (0.57) ESR1ESR2ALDH1A1POLBPTGS1
SCHEMBL5070991 0.78 FFAR1 (0.57) ESR1ESR2ALDH1A1POLBPTGS1
SCHEMBL5070994 0.78 FFAR1 (0.57) ESR1ESR2ALDH1A1POLBPTGS1
SCHEMBL5070310 0.75 FFAR1 (0.58) ESR1ESR2L3MBTL1ALDH1A1GAA

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
EP-1265930-A4 CYCLODEXTRIN DIMERS WITH SPACERS HAVING PEPTIDE STRUCTURES FOR ENCAPSULATION OF PHARMACEUTICALLY ACTIVE SUBSTANCES WITH POTENTIAL HIGH SIDE-EFFECTS CERAMOPTEC GMBH (DE) 2005-12-21 EP disclosed
US-6602988-B2 Preselected enzyme cleavage points are stable in blood but are cleavable within cells; use in drug delivery such as of antitumor agents CERAMOPTEC INDUSTRIES, INC. 2003-08-05 US disclosed
EP-1265930-A1 CYCLODEXTRIN DIMERS WITH SPACERS HAVING PEPTIDE STRUCTURES FOR ENCAPSULATION OF PHARMACEUTICALLY ACTIVE SUBSTANCES WITH POTENTIAL HIGH SIDE-EFFECTS CeramOptec GmbH (DE) 2002-12-18 EP disclosed
US-20020094950-A1 Cyclodextrin dimers with spacers having peptide structures for encapsulation of pharmaceutically active substances with potential high side-effects BIOLITEC PHARMA MARKETING LTD. (MY) 2002-07-18 US disclosed
WO-2001051524-A1 CYCLODEXTRIN DIMERS WITH SPACERS HAVING PEPTIDE STRUCTURES FOR ENCAPSULATION OF PHARMACEUTICALLY ACTIVE SUBSTANCES WITH POTENTIAL HIGH SIDE-EFFECTS CERAMOPTEC INDUSTRIES, INC. (US) 2001-07-19 WO disclosed
EP-0207437-B1 NEW CARNITINE SALTS PARTICULARLY SUITABLE FOR ORAL USE BIORESEARCH S.p.A. (IT) 1988-08-24 EP disclosed
US-4673534-A ALKYLSULFONATE SALTS, USEFUL IN TREATMENT OF MYOPATHY BIORESEARCH SPA (IT) 1987-06-16 US disclosed
EP-0207437-A1 New Carnitine salts particularly suitable for oral use BIORESEARCH S.p.A. (IT) 1987-01-07 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-20020094950-A1 Cyclodextrin dimers with spacers having peptide structures for encapsulation of pharmaceutically active substances with potential high side-effects BTD, CD44, CD22 ESR1 2248/4885ESR2 2751/4885L3MBTL1 1457/4885

“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.