SCHEMBL7196554

SCHEMBL7196554

CCOc1ccc(CC)cc1CCC(=O)c1c(OCC)c(OCC)cc(OCC)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 3/20 0.42
SLC5A2 P31639 3/20 0.42
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
AKT1 P31749 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP19A1 P11511 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CREBBP Q92793 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7199059 0.92 SLC5A1 (0.42) SLC5A1SLC5A2CYP2D6CYP2C19MTNR1A
SCHEMBL7193964 0.88 SLC5A1 (0.44) SLC5A1SLC5A2MTNR1AMTNR1BAKT1
SCHEMBL7195025 0.86 SLC5A1 (0.41) SLC5A1SLC5A2MTNR1AMTNR1BAKT1
SCHEMBL7198581 0.86 SLC5A1 (0.43) SLC5A1SLC5A2CYP2D6CYP2C19MTNR1A
SCHEMBL7198557 0.86 MTNR1A (0.48) SLC5A1SLC5A2MTNR1AMTNR1BTSHR
SCHEMBL7196415 0.85 FOS (0.45) SLC5A1SLC5A2AKT1TSHRCYP19A1
SCHEMBL7196497 0.85 LTB4R (0.45) SLC5A1SLC5A2KMT2AKDM4ENPSR1
SCHEMBL7187189 0.84 LTB4R (0.47) KMT2ANPSR1
SCHEMBL7190189 0.83 SLC5A1 (0.39) SLC5A1SLC5A2CYP2D6CYP2C19MTNR1A
SCHEMBL7192422 0.81 ABCB1 (0.40) CYP2D6CYP2C19MTNR1AMTNR1BAKT1

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 4543/4885CYP2D6 303/4885

“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.