SCHEMBL7196491

SCHEMBL7196491

COc1ccc(C(=O)C=Cc2ccccc2O)c(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.64
MAOB P27338 3/20 0.63
AR P10275 1/20 0.63
NR1H4 Q96RI1 2/20 0.62
MCL1 Q07820 2/20 0.59
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 1/20 0.58
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
BCHE P06276 1/20 0.57
GUSB P08236 1/20 0.57
CHRNA7 P36544 1/20 0.57
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP1B1 Q16678 1/20 0.57
MAOA P21397 1/20 0.56

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
SCHEMBL31338657 1.00 TUBB1 (0.64) TUBB1MAOBARNR1H4MCL1
SCHEMBL7196488 1.00 TUBB1 (0.64) TUBB1MAOBARNR1H4MCL1
SCHEMBL31436373 0.86 CHRNA7 (0.60) TUBB1MAOBARNR1H4MCL1
SCHEMBL31436353 0.86 CHRNA7 (0.60) TUBB1MAOBARNR1H4MCL1
SCHEMBL7196513 0.85 TUBB1 (0.67) TUBB1MAOBARMCL1CHRNA7
SCHEMBL31436365 0.85 TUBB1 (0.67) TUBB1MAOBARMCL1CHRNA7
SCHEMBL7196511 0.85 TUBB1 (0.67) TUBB1MAOBARMCL1CHRNA7
SCHEMBL30282145 0.84 CHRNA7 (0.72) TUBB1NR1H4MCL1MAPTNPC1
SCHEMBL20340323 0.84 MAOB (0.71) MAOBARNR1H4MAPTNPC1
SCHEMBL31230210 0.83 TUBB1 (0.64) TUBB1MCL1MAPTNPC1RAB9A

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 disclosed
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 disclosed
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 disclosed

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 TUBB1 1508/4885MAOB 943/4885AR 3083/4885

“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.