SCHEMBL7188091

SCHEMBL7188091

CCCCOc1cc(OCCCC)cc(C(=O)/C=C/c2cc(CC)ccc2OCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.52
PTPN1 P18031 3/20 0.52
ABCG2 Q9UNQ0 3/20 0.47
MAOB P27338 1/20 0.45
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
PLA2G2A P14555 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7188102 1.00 DPP4 (0.52) DPP4PTPN1ABCG2MAOBCYP1A1
SCHEMBL7193971 0.96 DPP4 (0.48) DPP4PTPN1ABCG2MAOBCYP1A1
SCHEMBL7192562 0.95 PLA2G2A (0.50) DPP4PTPN1ABCG2PLA2G2ABCHE
SCHEMBL7193944 0.94 DPP4 (0.50) DPP4PTPN1ABCG2MAOBCYP1A1
SCHEMBL7193951 0.94 DPP4 (0.50) DPP4PTPN1ABCG2MAOBCYP1A1
SCHEMBL7195708 0.90 DPP4 (0.49) DPP4PTPN1ABCG2
SCHEMBL7195711 0.90 DPP4 (0.49) DPP4PTPN1ABCG2
SCHEMBL7188125 0.88 MAOB (0.53) DPP4PTPN1ABCG2MAOBCYP1A1
SCHEMBL7188130 0.88 MAOB (0.53) DPP4PTPN1ABCG2MAOBCYP1A1
SCHEMBL7193939 0.86 SMPD1 (0.50) DPP4PTPN1

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 DPP4 1733/4885PTPN1 872/4885ABCG2 1177/4885

“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.