SCHEMBL7188087

SCHEMBL7188087

CCCOc1ccc(OCCC)c(CCC(=O)c2c(OCCC)ccc(OCCC)c2OCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.50
MTNR1B P49286 2/20 0.50
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
PPARG P37231 9/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
LMNA P02545 1/20 0.41
PPARA Q07869 6/20 0.39
PPARD Q03181 5/20 0.39
KMT2A Q03164 1/20 0.38
LTB4R Q15722 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7193900 0.95 MTNR1A (0.47) MTNR1AMTNR1BSLC5A1SLC5A2PPARG
SCHEMBL7194895 0.93 LTB4R (0.46) MTNR1AMTNR1BSLC5A1SLC5A2PPARG
SCHEMBL7197666 0.93 MTNR1A (0.50) MTNR1AMTNR1BSLC5A1SLC5A2PPARG
SCHEMBL7193929 0.92 LTB4R (0.47) MTNR1AMTNR1BPPARGPTGESALOX5
SCHEMBL7195798 0.88 MTNR1A (0.47) MTNR1AMTNR1BSLC5A1SLC5A2PPARG
SCHEMBL7196332 0.86 SLC5A1 (0.44) MTNR1AMTNR1BSLC5A1SLC5A2L3MBTL1
SCHEMBL7194746 0.86 MTNR1A (0.44) MTNR1AMTNR1BSLC5A1SLC5A2L3MBTL1
SCHEMBL7197695 0.85 LTB4R (0.46) MTNR1AMTNR1BSLC5A1SLC5A2PPARG
SCHEMBL7194227 0.85 MTNR1A (0.48) MTNR1AMTNR1BSLC5A1SLC5A2L3MBTL1
SCHEMBL7198836 0.84 LTB4R (0.47) MTNR1AMTNR1BPPARGPTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US claimed

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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 MTNR1A 2653/4885MTNR1B 3284/4885SLC5A1 3292/4885

“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.