SCHEMBL5873778

SCHEMBL5873778

CCC(CCCCC(=O)O)N1C(=O)C=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GSTK1 Q9Y2Q3 2/20 0.40
ENPEP Q07075 1/20 0.39
AKR1B1 P15121 1/20 0.38
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
GPR84 Q9NQS5 4/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL28406949 0.98 PTGS1 (0.50) PTGS1PTGS2FFAR4FFAR1ALDH1A1
SCHEMBL28258643 0.95 PTGS1 (0.45) PTGS1PTGS2FFAR4FFAR1ALDH1A1
SCHEMBL7053269 0.89 FFAR4 (0.47) PTGS1PTGS2FFAR4FFAR1ALDH1A1
SCHEMBL3962791 0.89 FFAR4 (0.51) PTGS1PTGS2FFAR4FFAR1ALDH1A1
SCHEMBL2494888 0.88 PTGS1 (0.40) PTGS1PTGS2ALDH1A1ENPEPHSD17B10
SCHEMBL22972984 0.81 MGLL (0.46) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL28536934 0.80 PTGS1 (0.50) PTGS1PTGS2FFAR4FFAR1ALDH1A1
SCHEMBL25062606 0.80 MGLL (0.48) PTGS1PTGS2ALDH1A1GPR84MEN1
SCHEMBL17924843 0.80 MGLL (0.34) PTGS1PTGS2ALDH1A1
SCHEMBL25062322 0.80 MGLL (0.48) PTGS1PTGS2ALDH1A1GPR84MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132295-B2 Isotopically coded affinity markers 3 BAYER AKTIENGESELLSCHAFT (DE) 2006-11-07 US disclosed
US-20050049406-A1 Isotopically coded affinity markers 3 BAYER AKTIENGESELLSCHAFT (DE) 2005-03-03 US disclosed
EP-1446665-A2 ISOTOPICALLY CODED AFFINITY MARKERS 3 Bayer HealthCare AG (DE) 2004-08-18 EP disclosed
US-20030201208-A1 Dynamic superparamagnetic markers KOCH, MARTIN (DK) 2003-10-30 US disclosed
WO-2003040288-A2 ISOTOPICALLY CODED AFFINITY MARKERS 3 BAYER HEALTHCARE AG (DE) 2003-05-15 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-20050049406-A1 Isotopically coded affinity markers 3 IGFBP3, FABP3, LGALS3BP PTGS1 4677/4885PTGS2 4648/4885FFAR4 4717/4885

“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.