SCHEMBL7187219

SCHEMBL7187219

CCCCCOc1cc(CCC(=O)c2cc(OCCCCC)cc(OCCCCC)c2OCCCCC)c(OCCCCC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
CNR1 P21554 7/20 0.41
CNR2 P34972 7/20 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
SCHEMBL7194863 0.99 ALOX5 (0.50) ALOX5THRATHRBCNR1CNR2
SCHEMBL7198457 0.97 ALOX5 (0.47) ALOX5THRATHRBCNR1CNR2
SCHEMBL7190360 0.93 ALOX5 (0.43) ALOX5THRATHRB
SCHEMBL7198353 0.89 THRA (0.47) ALOX5THRATHRBCNR1CNR2
SCHEMBL7191740 0.89 ALOX5 (0.49) ALOX5THRATHRBCNR1CNR2
SCHEMBL7194122 0.88 THRA (0.49) ALOX5THRATHRBCNR1CNR2
SCHEMBL7194517 0.88 THRA (0.51) ALOX5THRATHRBCNR1CNR2
SCHEMBL7188363 0.88 ALOX5 (0.50) ALOX5THRATHRBCNR1CNR2
SCHEMBL7193858 0.87 THRA (0.53) ALOX5THRATHRBCNR1CNR2
SCHEMBL7198468 0.86 THRB (0.48) ALOX5THRATHRB

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 ALOX5 1298/4885THRA 2660/4885THRB 2309/4885

“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.