SCHEMBL7192510

SCHEMBL7192510

CCCC(CC)Oc1cccc(C(=O)CCc2cc(OC(CC)CCC)cc(OC)c2OC(CC)CCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CTNNB1 P35222 3/20 0.40
WNT3A P56704 3/20 0.40
ALOX5 P09917 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL7190577 0.87 TAS1R3 (0.43) TAS1R3TAS1R1CTNNB1WNT3AALOX5
SCHEMBL7194985 0.86 NPC1 (0.40) TAS1R3TAS1R1ALOX5TDP1NPC1
SCHEMBL7198585 0.85 NPC1 (0.45) TAS1R3TAS1R1CTNNB1WNT3AALOX5
SCHEMBL7194168 0.84 PPARG (0.41) TAS1R3TAS1R1CTNNB1WNT3AALDH1A1
SCHEMBL7194222 0.84 ALOX5 (0.38) ALOX5TDP1NPC1PKMRAB9A
SCHEMBL7193872 0.83 ALOX5 (0.39) ALOX5TDP1HTR1AADRA2AKCNH2
SCHEMBL7196331 0.83 ALOX5 (0.39) ALOX5TDP1KMT2ANPC1PKM
SCHEMBL7194920 0.83 ALOX5 (0.42) TAS1R3TAS1R1CTNNB1WNT3AALOX5
SCHEMBL7198630 0.83 CTNNB1 (0.45) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL7192539 0.79 CTNNB1 (0.52) CTNNB1WNT3AALDH1A1MAPTTDP1

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 TAS1R3 1683/4885TAS1R1 1236/4885CTNNB1 1942/4885

“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.