SCHEMBL7198293

SCHEMBL7198293

COc1cccc(C(=O)CCc2cc(OC)c(OC)c(OC)c2NC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TSHR P16473 3/20 0.46
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
MTNR1B P49286 2/20 0.43
MTNR1A P48039 1/20 0.43
HSD11B1 P28845 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7192539 0.82 CTNNB1 (0.52) KMT2ATSHRCTNNB1WNT3AGAA
SCHEMBL7195774 0.77 MAPT (0.56) KMT2ATSHRCTNNB1WNT3AMAPT
SCHEMBL29007489 0.76 GAA (0.64) KMT2ACTNNB1WNT3AGAAHPGD
SCHEMBL7188215 0.76 KMT2A (0.56) KMT2ACTNNB1WNT3AGAAHPGD
SCHEMBL7198320 0.74 CTNNB1 (0.44) KMT2ATSHRCTNNB1WNT3AGAA
SCHEMBL8146551 0.73 KMT2A (0.54) KMT2ACTNNB1WNT3AGAAHPGD
SCHEMBL7194030 0.73 CTNNB1 (0.45) KMT2ACTNNB1WNT3AHPGDMAPT
SCHEMBL7198630 0.73 CTNNB1 (0.45) KMT2ACTNNB1WNT3AGAAHPGD
SCHEMBL21643278 0.72 ALDH1A1 (0.41) KMT2ATSHRCTNNB1WNT3AGAA
SCHEMBL7191853 0.71 KMT2A (0.51) KMT2ATSHRCTNNB1WNT3AMAPT

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 KMT2A 4485/4885TSHR 1982/4885CTNNB1 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.