SCHEMBL7192539

SCHEMBL7192539

COc1cccc(C(=O)CCc2cc(OC)cc(OC)c2OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.52
WNT3A P56704 2/20 0.52
CYP1A2 P05177 1/20 0.51
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
PARP1 P09874 1/20 0.47
HSD11B1 P28845 2/20 0.46

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
SCHEMBL7188215 0.85 KMT2A (0.56) CTNNB1WNT3ACES2CES1ALDH1A1
SCHEMBL21643278 0.85 ALDH1A1 (0.41) CTNNB1WNT3ACYP1A2ALDH1A1MAPT
SCHEMBL7198630 0.84 CTNNB1 (0.45) CTNNB1WNT3ACES2CES1ALDH1A1
SCHEMBL7194030 0.84 CTNNB1 (0.45) CTNNB1WNT3ACES2CES1ALDH1A1
SCHEMBL7195774 0.84 MAPT (0.56) CTNNB1WNT3ACES2CES1ALDH1A1
SCHEMBL7198320 0.83 CTNNB1 (0.44) CTNNB1WNT3ACES2CES1ALDH1A1
SCHEMBL29007489 0.82 GAA (0.64) CTNNB1WNT3ACES2CES1ALDH1A1
SCHEMBL7191853 0.82 KMT2A (0.51) CTNNB1WNT3ACES2CES1ALDH1A1
SCHEMBL7198293 0.82 KMT2A (0.47) CTNNB1WNT3AALDH1A1MAPTUSP2
SCHEMBL7190602 0.82 CYP1A2 (0.51) CYP1A2ALDH1A1KMT2ANPC1PKM

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 CTNNB1 1942/4885WNT3A 3338/4885CYP1A2 315/4885

“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.