SCHEMBL7189707

SCHEMBL7189707

CCCCC(C)Oc1cc(CCC(=O)c2cc(OC(C)CCCC)cc(OC(C)CCCC)c2OC(C)CCCC)c(OC(C)CCCC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL7189750 0.94 ALOX5 (0.40) ALOX5NPC1PKMRAB9ACYP1A2
SCHEMBL7197433 0.90 ALOX5 (0.40) ALOX5NPC1PKMRAB9ATHRA
SCHEMBL7193558 0.90 ALOX5 (0.43) ALOX5NPC1PKMRAB9ACYP1A2
SCHEMBL7194857 0.89 NPC1 (0.44) ALOX5NPC1PKMRAB9ATHRA
SCHEMBL7199234 0.88 PPARG (0.36) ALOX5NPC1PKMRAB9AMTNR1A
SCHEMBL7188147 0.86 ALOX5 (0.42) ALOX5NPC1PKMRAB9APDE4A
SCHEMBL7194920 0.84 ALOX5 (0.42) ALOX5THRATHRBHTR1AMTNR1A
SCHEMBL7197220 0.84 NPC1 (0.40) ALOX5NPC1PKMRAB9AMTNR1A
SCHEMBL7198483 0.83 ALOX5 (0.40) ALOX5NPC1PKMRAB9ACYP1A2
SCHEMBL7193985 0.83 PPARG (0.43)

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 1298/4885NPC1 3105/4885PKM 749/4885

“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.