SCHEMBL6714731

SCHEMBL6714731

CCOC(=O)[C@@H](C)c1ccc2cc(O)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.52
AKR1C2 P52895 5/20 0.52
CYP2C9 P11712 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGS2 P35354 4/20 0.45
PTGS1 P23219 2/20 0.45
TSHR P16473 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
CYP1A2 P05177 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL8212247 1.00 AKR1C3 (0.52) AKR1C3AKR1C2CYP2C9HSD17B10TDP1
SCHEMBL13067831 0.88 TDP1 (0.49) AKR1C3AKR1C2CYP2C9HSD17B10TDP1
SCHEMBL5878417 0.86 AKR1C3 (0.54) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
SCHEMBL15385462 0.86 AKR1C3 (0.54) AKR1C3AKR1C2CYP2C9HSD17B10TDP1
SCHEMBL15341770 0.86 AKR1C3 (0.54) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
SCHEMBL554712 0.85 CYP2C9 (0.48) AKR1C3AKR1C2CYP2C9HSD17B10TDP1
SCHEMBL30892259 0.84 TDP1 (0.55) AKR1C3AKR1C2CYP2C9TDP1L3MBTL1
SCHEMBL555045 0.84 TDP1 (0.55) AKR1C3AKR1C2CYP2C9TDP1L3MBTL1
SCHEMBL722654 0.84 TDP1 (0.55) AKR1C3AKR1C2CYP2C9TDP1L3MBTL1
SCHEMBL1792502 0.83 ESR1 (0.53) CYP2C9TDP1PTGS1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762175-B2 LIPOPHILIC BIOLOGICALLY ACTIVE COMPOUND CONTAINING IN ITS MOLECULAR STRUCTURE ONE OR MORE FUNCTIONAL GROUPS SELECTED FROM ALCOHOL, ETHER, PHENYL, AMINO, AMIDO, THIOL, ACID AND ESTER IN WHICH ONE GROUP IS REPLACED BY LIPOPHILIC GROUP NORSK HYDRO ASA (NO) 2004-07-13 US disclosed
EP-0977725-B1 NEW FATTY ACID DERIVATIVES CONPHARMA AS (NO) 2004-06-16 EP disclosed
US-20040063677-A1 Methods of treating disorders using lipophilic derivatives NORSK HYDRO ASA 2004-04-01 US disclosed
US-20030153544-A1 Lipophilic biologically active compound containing in its molecular structure one or more functional groups selected from alcohol, ether, phenyl, amino, amido, thiol, acid and ester in which one group is replaced by lipophilic group CONPHARMA AS (NO) 2003-08-14 US disclosed
US-20010006962-A1 FATTY ACID DERIVATIVES NORSK HYDRO ASA (NO) 2001-07-05 US disclosed
US-4937373-A Substituted naphthalene carboxylic acids HOFFMANN-LA ROCHE INC. (US) 1990-06-26 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 (3 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-20010006962-A1 FATTY ACID DERIVATIVES HADH, NR1H2, NR1H3 AKR1C3 384/4885AKR1C2 311/4885CYP2C9 163/4885
US-20040063677-A1 Methods of treating disorders using lipophilic derivatives NCEH1, NR1H2, NR1H3 AKR1C3 266/4885AKR1C2 216/4885CYP2C9 373/4885
US-20030153544-A1 Lipophilic biologically active compound containing in its molecular structure one or more functional groups selected from alcohol, ether, phenyl, amino, amido, thiol, acid and ester in which one group is replaced by lipophilic group TSPO, NR1H2, NR1H3 AKR1C3 245/4885AKR1C2 190/4885CYP2C9 106/4885

“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.