SCHEMBL7196497

SCHEMBL7196497

CCCCCOc1ccc(CC)cc1CCC(=O)c1c(OCCCCC)c(OCCCCC)cc(OCCCCC)c1OCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.45
HTT P42858 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
RAD52 P43351 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 4/20 0.41
APAF1 O14727 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRA P10827 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7187189 0.99 LTB4R (0.47) LTB4RHTTMAPTMEN1KMT2A
SCHEMBL7195025 0.96 SLC5A1 (0.41) LTB4RHTTMAPTMEN1KMT2A
SCHEMBL7193435 0.93 LTB4R (0.45) LTB4RHTTMAPTMEN1KMT2A
SCHEMBL7193964 0.93 SLC5A1 (0.44) LTB4RHTTMAPTMAPK1SMN1; SMN2
SCHEMBL7192437 0.92 LTB4R (0.47) LTB4RHTTMAPTMEN1KMT2A
SCHEMBL7192835 0.89 SLC5A1 (0.41) LTB4RHTTMAPTMEN1KMT2A
SCHEMBL7197695 0.87 LTB4R (0.46) LTB4RTHRBTHRASLC5A1SLC5A2
SCHEMBL7193867 0.87 LTB4R (0.51) LTB4RHTTMAPTMEN1KMT2A
SCHEMBL7194098 0.86 LTB4R (0.53) LTB4RHTTMAPTMEN1KMT2A
SCHEMBL7198836 0.86 LTB4R (0.47) LTB4RTHRBTHRA

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 3 patents. 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
EP-0996432-A2 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 SERUMINSTITUT (DK) 2000-05-03 EP claimed
WO-1999000114-A2 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 INSTITUT (DK) 1999-01-07 WO 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 LTB4R 506/4885HTT 541/4885MAPT 3817/4885

“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.