SCHEMBL3419336

SCHEMBL3419336

CC/C=C\C/C=C\C/C=C\C/C=C\CCSC(CC)(CC)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.50
ALDH1A1 P00352 8/20 0.49
CYP19A1 P11511 4/20 0.49
MAPT P10636 4/20 0.49
PPARG P37231 3/20 0.49
OXER1 Q8TDS5 3/20 0.49
RXRA P19793 2/20 0.49
FFAR1 O14842 2/20 0.49
F7 P08709 3/20 0.46
F3 P13726 3/20 0.46
PPARA Q07869 3/20 0.46
KMT2A Q03164 2/20 0.46
PPARD Q03181 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP3A4 P08684 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
SCHEMBL3419343 1.00 PTGS1 (0.50) PTGS1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL15808482 0.90 ALDH1A1 (0.51) PTGS1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL12357092 0.90 ALDH1A1 (0.51) PTGS1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL2254035 0.89 ALDH1A1 (0.51) PTGS1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL2254029 0.89 ALDH1A1 (0.51) PTGS1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL18417710 0.89 ALDH1A1 (0.51) PTGS1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL3424298 0.88 ALDH1A1 (0.54) PTGS1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL3424303 0.88 ALDH1A1 (0.54) PTGS1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL18944651 0.86 ALDH1A1 (0.53) PTGS1ALDH1A1CYP19A1MAPTPPARG
SCHEMBL18920278 0.81 PTGS1 (0.51) PTGS1ALDH1A1CYP19A1MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029368-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS 2017-02-02 US disclosed
US-20170029368-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS 2017-02-02 US disclosed
US-20170029368-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS 2017-02-02 US disclosed
EP-2313090-B1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2016-03-30 EP disclosed
EP-2313090-B1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2016-03-30 EP disclosed
US-20140316002-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2014-10-23 US disclosed
US-20140316002-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2014-10-23 US disclosed
US-20140316002-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2014-10-23 US disclosed
US-8759558-B2 Sulphur containing lipids for use as food supplement or as medicament PRONOVA BIOPHARMA NORGE AS (NO) 2014-06-24 US disclosed
US-8759558-B2 Sulphur containing lipids for use as food supplement or as medicament PRONOVA BIOPHARMA NORGE AS (NO) 2014-06-24 US disclosed
US-8759558-B2 Sulphur containing lipids for use as food supplement or as medicament PRONOVA BIOPHARMA NORGE AS (NO) 2014-06-24 US disclosed
US-20110190395-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2011-08-04 US disclosed
US-20110190395-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2011-08-04 US disclosed
WO-2010008299-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2010-01-21 WO disclosed
WO-2010008299-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2010-01-21 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 (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-20140316002-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT SGMS2, SGMS1, ACSS2 PTGS1 960/4885ALDH1A1 514/4885CYP19A1 2818/4885
US-20170029368-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT SGMS2, SGMS1, FABP2 PTGS1 1167/4885ALDH1A1 472/4885CYP19A1 3183/4885
US-20110190395-A1 NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT SGMS2, SGMS1, ACSS2 PTGS1 960/4885ALDH1A1 514/4885CYP19A1 2818/4885

“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.