SCHEMBL7196742

SCHEMBL7196742

CCOc1cc(OCC)cc(C(=O)CCc2cc(CC)ccc2OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NPC1 O15118 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CALM1 P0DP23 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AKT1 P31749 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 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
SCHEMBL7193490 0.89 FOS (0.46) NPC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL7193948 0.88 SLC5A1 (0.44) SLC5A1SLC5A2MTNR1AMTNR1BKMT2A
SCHEMBL7188095 0.86 THRA (0.43) SLC5A1SLC5A2MTNR1AMTNR1B
SCHEMBL7193969 0.85 PLA2G2A (0.48) NPC1KMT2AMEN1
SCHEMBL7193306 0.85 FOS (0.53) AKT1ALDH1A1MAPT
SCHEMBL7192558 0.84 PLA2G2A (0.50)
SCHEMBL7198516 0.84 POLB (0.46) NPC1CALM1KMT2AMEN1ACHE
SCHEMBL7192815 0.84 SLC5A1 (0.44) SLC5A1SLC5A2MTNR1AMTNR1BNPC1
SCHEMBL7190189 0.83 SLC5A1 (0.39) SLC5A1SLC5A2MTNR1AMTNR1BNPC1
SCHEMBL7198581 0.81 SLC5A1 (0.43) SLC5A1SLC5A2MTNR1AMTNR1BCYP2D6

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 SLC5A1 3292/4885SLC5A2 4543/4885MTNR1A 2653/4885

“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.