SCHEMBL7195073

SCHEMBL7195073

COc1cc(OCC(C)C)cc(CCC(=O)c2cccc(OCC(C)C)c2)c1OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.53
JUN P05412 2/20 0.53
ABCB1 P08183 5/20 0.47
NR1H4 Q96RI1 1/20 0.43
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
KAT6A Q92794 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 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
SCHEMBL7194030 0.85 CTNNB1 (0.45) CTNNB1WNT3AKAT6A
SCHEMBL7201608 0.84 NPC1 (0.42) FOSJUNABCB1
SCHEMBL7191853 0.83 KMT2A (0.51) ABCB1NR1H4CTNNB1WNT3A
SCHEMBL7194946 0.83 THRB (0.52) NR1H4CTNNB1WNT3A
SCHEMBL7193702 0.83 NPC1 (0.48) FOSJUNABCB1KCNH2
SCHEMBL7192971 0.82 THRA (0.56) NR1H4
SCHEMBL7191896 0.81 FOS (0.43) FOSJUN
SCHEMBL7192539 0.81 CTNNB1 (0.52) CTNNB1WNT3A
SCHEMBL7195014 0.81 NPC1 (0.40) FOSJUN
SCHEMBL7198863 0.81 FOS (0.40) FOSJUN

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 FOS 1004/4885JUN 961/4885ABCB1 1031/4885

“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.