SCHEMBL7188095

SCHEMBL7188095

CCCCOc1cc(OCCCC)cc(C(=O)CCc2cc(CC)ccc2OCCCC)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.43
LTB4R Q15722 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PLA2G2A P14555 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 4/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
MMP1 P03956 1/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41

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
SCHEMBL7193969 0.96 PLA2G2A (0.48) THRALTB4RPLA2G2ATHRB
SCHEMBL7192558 0.95 PLA2G2A (0.50) THRALTB4RPLA2G2ATHRB
SCHEMBL7193948 0.94 SLC5A1 (0.44) THRALTB4RMTNR1AMTNR1BPLA2G2A
SCHEMBL7198598 0.90 THRB (0.53) THRALTB4RTHRBPTGESALOX5
SCHEMBL7196742 0.86 SLC5A1 (0.42) MTNR1AMTNR1BSLC5A1SLC5A2
SCHEMBL7193935 0.86 THRA (0.57) THRALTB4RTHRB
SCHEMBL7193466 0.86 PPARG (0.45) THRALTB4RMTNR1AMTNR1BTHRB
SCHEMBL7198565 0.85 THRA (0.59) THRALTB4RTHRB
SCHEMBL7190213 0.84 MTNR1A (0.40) THRALTB4RMTNR1AMTNR1BTHRB
SCHEMBL7193783 0.84 THRB (0.46) THRALTB4RTHRBPTGESALOX5

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 THRA 2660/4885LTB4R 506/4885MTNR1A 2653/4885

“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.