SCHEMBL3820190

SCHEMBL3820190

O=C(O)CCCCCC(CC(=O)O)(CC(=O)O)CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
LMNA P02545 3/20 0.57
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.57
FFAR1 O14842 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
CPT2 P23786 1/20 0.48
GPR84 Q9NQS5 8/20 0.48
FFAR4 Q5NUL3 2/20 0.48
PRMT1 Q99873 1/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
TLR2 O60603 2/20 0.46
MEN1 O00255 2/20 0.46
FABP4 P15090 2/20 0.46
ALOX15 P16050 2/20 0.46
PTPN1 P18031 2/20 0.46

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
SCHEMBL3408462 1.00 TSHR (0.57) TSHRLMNANFKB1PMP22FFAR1
SCHEMBL1533154 1.00 TSHR (0.57) TSHRLMNANFKB1PMP22FFAR1
SCHEMBL16237875 0.98 LMNA (0.55) TSHRLMNANFKB1PMP22FFAR1
SCHEMBL2930714 0.90 LMNA (0.50) TSHRLMNANFKB1PMP22FFAR1
Hexane SCHEMBL2732468 0.90 GPR84 (0.65) TSHRFFAR1TDP1GPR84FFAR4
Water SCHEMBL6759104 0.88 LMNA (0.48) TSHRLMNANFKB1PMP22FFAR1
SCHEMBL14809347 0.87 GPR84 (0.50) TSHRLMNANFKB1PMP22FFAR1
SCHEMBL14359782 0.87 GPR84 (0.50) TSHRLMNANFKB1PMP22FFAR1
SCHEMBL14810362 0.87 GPR84 (0.50) TSHRLMNANFKB1PMP22FFAR1
SCHEMBL14360153 0.87 GPR84 (0.50) TSHRLMNANFKB1PMP22FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663319-B1 METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL UNIV CALIFORNIA (US) 2013-01-30 EP disclosed
EP-1663319-A4 METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL UNIV CALIFORNIA (US) 2009-08-26 EP disclosed
US-7357913-B2 Methods for detecting, prognosing, or monitoring a disorder by comparing relative flux rates of two or more biological molecules in vivo THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-15 US disclosed
US-7262020-B2 Methods for comparing relative flux rates of two or more biological molecules in vivo through a single protocol THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-28 US disclosed
US-20060204439-A1 Methods for comparing relative flux rates of two or more biological molecules in vivo through a single protocol THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-14 US disclosed
EP-1663319-A2 METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL The Regents of the University of California (US) 2006-06-07 EP disclosed
WO-2005033652-A2 METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-04-14 WO disclosed
WO-2005015155-A2 METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-17 WO disclosed
WO-2005009597-A2 METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-03 WO disclosed
US-20050019251-A1 Methods for comparing relative flux rates of two or more biological molecules in vivo through a single protocol THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-27 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 (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-20060204439-A1 Methods for comparing relative flux rates of two or more biological molecules in vivo through a single protocol FABP1, SLC35B2, SLC10A1 TSHR 443/4885LMNA 3952/4885NFKB1 1253/4885
US-20050019251-A1 Methods for comparing relative flux rates of two or more biological molecules in vivo through a single protocol FABP1, SLC35B2, SLC10A1 TSHR 443/4885LMNA 3952/4885NFKB1 1253/4885

“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.