SCHEMBL7198237

SCHEMBL7198237

COc1ccc(C(=O)/C=C/c2cccc(N(C)C)c2)c(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.65
CYP1A2 P05177 2/20 0.61
CYP1A1 P04798 1/20 0.61
CYP1B1 Q16678 1/20 0.61
MCL1 Q07820 3/20 0.60
CYP3A4 P08684 3/20 0.55
ABCB1 P08183 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53
TLR9 Q9NR96 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KRAS P01116 1/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TNFRSF1A P19438 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL7198238 1.00 TUBB1 (0.65) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL7188936 0.85 MEN1 (0.67) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL7188944 0.85 MEN1 (0.67) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL31436339 0.84 TUBB1 (0.69) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL31436383 0.84 TUBB1 (0.69) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL30736442 0.84 TUBB1 (0.69) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL14318022 0.84 TUBB1 (0.69) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL30736488 0.84 TUBB1 (0.69) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL7194059 0.83 TUBB1 (0.73) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL31436333 0.83 TUBB1 (0.73) TUBB1CYP1A2CYP1A1CYP1B1MCL1

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 1508/4885CYP1A2 315/4885CYP1A1 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.