SCHEMBL7189333

SCHEMBL7189333

CCCOc1cccc(C(=O)C=Cc2cc(OCCC)ccc2OCCC)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
DPP4 P27487 3/20 0.54
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
ABCG2 Q9UNQ0 3/20 0.50
PTPN1 P18031 3/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HDAC8 Q9BY41 1/20 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
SCHEMBL7189322 1.00 KMT2A (0.57) KMT2ADPP4CYP1A1CYP1B1ABCG2
SCHEMBL7192543 0.95 DPP4 (0.54) KMT2ADPP4ABCG2PTPN1KEAP1
SCHEMBL7192546 0.95 DPP4 (0.54) KMT2ADPP4ABCG2PTPN1KEAP1
SCHEMBL7194183 0.93 SMPD1 (0.54) KMT2ADPP4ABCG2PTPN1KEAP1
SCHEMBL7187007 0.92 SMPD1 (0.56) KMT2ADPP4ABCG2PTPN1KEAP1
SCHEMBL7192442 0.91 KMT2A (0.52) KMT2ADPP4CYP1A1CYP1B1ABCG2
SCHEMBL7192441 0.91 KMT2A (0.52) KMT2ADPP4CYP1A1CYP1B1ABCG2
SCHEMBL7192816 0.89 MAPT (0.53) KMT2ADPP4CYP1A1CYP1B1ABCG2
SCHEMBL7192823 0.89 MAPT (0.53) KMT2ADPP4CYP1A1CYP1B1ABCG2
SCHEMBL7195711 0.87 DPP4 (0.49) KMT2ADPP4ABCG2PTPN1KEAP1

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 KMT2A 4485/4885DPP4 1733/4885CYP1A1 32/4885

“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.