SCHEMBL4894070

SCHEMBL4894070

NC1c2ccccc2Oc2ccc(OCCCC(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.45
ACSL6 Q9UKU0 2/20 0.45
KCNA3 P22001 1/20 0.44
TSHR P16473 1/20 0.43
FFAR4 Q5NUL3 5/20 0.43
FFAR1 O14842 3/20 0.43
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PDK2 Q15119 1/20 0.41
PLA2G4B P0C869 1/20 0.39

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
SCHEMBL2511686 0.96 ACSL1 (0.49) ACSL1ACSL6KCNA3TSHRFFAR4
SCHEMBL9423929 0.83 ACSL1 (0.50) ACSL1ACSL6KCNA3TSHRFFAR4
SCHEMBL27694186 0.76 L3MBTL1 (0.45) TSHR
SCHEMBL23091409 0.74 KCNA3 (0.42) KCNA3FFAR1PPARAPPARGPPARD
SCHEMBL23091410 0.74 KCNA3 (0.42) KCNA3FFAR1PPARAPPARGPPARD
SCHEMBL15237264 0.73 GAA (0.56)
SCHEMBL9170332 0.72 ALOX5 (0.47) ACSL1ACSL6TSHRFFAR4FFAR1
SCHEMBL9423885 0.72 MAOA (0.51) TSHRFFAR1PPARGPPARD
SCHEMBL6566874 0.70 L3MBTL1 (0.50)
SCHEMBL2277251 0.70 MAOB (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227809-A1 Arylalkylamine Vanadium (V) Salts for the Treatment and/or Prevention of Diabetes Mellitus GENMEDICA THERAPEUTICS SL (ES) 2008-09-18 US disclosed
EP-1765765-A1 ARYLALKYLAMINE VANADIUM (V) SALTS FOR THE TREATMENT AND/OR PREVENTION OF DIABETES MELLITUS Genmedica Therapeutics SL (ES) 2007-03-28 EP disclosed
US-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
WO-2006003189-A1 ARYLALKYLAMINE VANADIUM (V) SALTS FOR THE TREATMENT AND/OR PREVENTION OF DIABETES MELLITUS GENMEDICA THERAPEUTICS SL (ES) 2006-01-12 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-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GPR119, ABCC1, INSR ACSL1 1558/4885ACSL6 1644/4885KCNA3 50/4885
US-20080227809-A1 Arylalkylamine Vanadium (V) Salts for the Treatment and/or Prevention of Diabetes Mellitus SLC5A1, GPR119, IAPP ACSL1 1598/4885ACSL6 2363/4885KCNA3 82/4885

“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.