SCHEMBL6154670

SCHEMBL6154670

COC(=O)CCc1cccc(Oc2cccc(C=O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
ALDH1A1 P00352 1/20 0.46
FFAR1 O14842 5/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
P2RX3 P56373 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
GNA15 P30679 1/20 0.43
PTGER3 P43115 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL698078 0.89 CYP4F2 (0.55) MAOAMAOBALDH1A1FFAR1CYP4F2
SCHEMBL6155174 0.86 SLC7A5 (0.49) MAOAMAOBALDH1A1CYP4F2CYP4A11
SCHEMBL9804265 0.85 FFAR1 (0.60) FFAR1TDP1SIRT2FFAR4GNA15
SCHEMBL63100 0.80 HDAC1 (0.61) RAB9AHDAC1HDAC6
SCHEMBL11783243 0.78 NPC1 (0.52) MAOAMAOBALDH1A1TDP1NPC1
SCHEMBL12646439 0.77 TRIM24 (0.51) ALDH1A1FFAR1CYP4F2CYP4A11FFAR4
SCHEMBL1563518 0.77 FFAR1 (0.54) ALDH1A1FFAR1TDP1P2RX3FFAR4
SCHEMBL3930030 0.77 MEN1 (0.52) FFAR1SIRT2P2RX3HDAC1HDAC6
SCHEMBL28850543 0.77 MAOA (0.55) MAOAMAOBALDH1A1TDP1NPC1
SCHEMBL20211726 0.77 NPC1 (0.51) MAOAMAOBALDH1A1TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MAOA 4410/4885MAOB 3660/4885ALDH1A1 961/4885

“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.