SCHEMBL7189329

SCHEMBL7189329

CCCOc1cccc(C(=O)CCc2cc(OCCC)ccc2OCCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
LTB4R Q15722 2/20 0.47
FOS P01100 1/20 0.47
JUN P05412 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
PLA2G4B P0C869 2/20 0.44
ABCB1 P08183 1/20 0.44
SMPD1 P17405 3/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
KAT6A Q92794 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7193665 0.95 THRB (0.58) KMT2ATHRATHRBMTNR1AMTNR1B
SCHEMBL7194180 0.93 THRA (0.62) KMT2ATHRATHRBLTB4RNR1H4
SCHEMBL7189188 0.92 THRA (0.64) KMT2ATHRATHRBLTB4RNR1H4
SCHEMBL7196312 0.91 KMT2A (0.52) KMT2ATHRATHRBMTNR1AMTNR1B
SCHEMBL7198598 0.87 THRB (0.53) KMT2ATHRATHRBLTB4RFOS
SCHEMBL7192819 0.87 FOS (0.49) KMT2ATHRATHRBMTNR1AMTNR1B
SCHEMBL7193935 0.84 THRA (0.57) KMT2ATHRATHRBLTB4RNR1H4
SCHEMBL7198565 0.83 THRA (0.59) KMT2ATHRATHRBLTB4RNR1H4
SCHEMBL7198034 0.82 MTNR1A (0.50) KMT2AMTNR1AMTNR1BL3MBTL1ABCB1
SCHEMBL7191853 0.82 KMT2A (0.51) KMT2ATHRATHRBL3MBTL1NR1H4

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 4485/4885THRA 2660/4885THRB 2309/4885

“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.