SCHEMBL7198565

SCHEMBL7198565

CCCCCCOc1cccc(C(=O)CCc2cc(CC)ccc2OCCCCCC)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.59
THRB P10828 3/20 0.59
LTB4R Q15722 1/20 0.54
PLA2G4B P0C869 2/20 0.53
SMPD1 P17405 4/20 0.52
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL7193935 0.99 THRA (0.57) THRATHRBLTB4RPLA2G4BSMPD1
SCHEMBL7198598 0.96 THRB (0.53) THRATHRBLTB4RPLA2G4BSMPD1
SCHEMBL7196312 0.92 KMT2A (0.52) THRATHRBLTB4RPLA2G4BKMT2A
SCHEMBL7189188 0.91 THRA (0.64) THRATHRBLTB4RPLA2G4BSMPD1
SCHEMBL7192558 0.90 PLA2G2A (0.50) THRATHRBLTB4RPLA2G4B
SCHEMBL7194180 0.90 THRA (0.62) THRATHRBLTB4RPLA2G4BSMPD1
SCHEMBL7193969 0.89 PLA2G2A (0.48) THRATHRBLTB4RKMT2A
SCHEMBL7193665 0.88 THRB (0.58) THRATHRBLTB4RPLA2G4BSMPD1
SCHEMBL7188095 0.85 THRA (0.43) THRATHRBLTB4R
SCHEMBL7193490 0.85 FOS (0.46) THRATHRBKMT2ANR1H4

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 2660/4885THRB 2309/4885LTB4R 506/4885

“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.