SCHEMBL7194437

SCHEMBL7194437

COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.78
▸ MAOA P21397 5/20 0.78
▸ KRAS P01116 2/20 0.73
▸ PTGS1 P23219 1/20 0.68
▸ PTGS2 P35354 1/20 0.68
▸ CYP1B1 Q16678 2/20 0.63
▸ CYP1A1 P04798 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ABCG2 Q9UNQ0 1/20 0.58
▸ BCHE P06276 1/20 0.58
▸ HSPD1 P10809 1/20 0.56
▸ HSPE1 P61604 1/20 0.56
▸ F3 P13726 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
SCHEMBL8160140 1.00 MAOB (0.78) MAOBMAOAKRASPTGS1PTGS2
SCHEMBL7194081 1.00 MAOB (0.78) MAOBMAOAKRASPTGS1PTGS2
SCHEMBL14318106 0.89 MAOB (0.78) MAOBMAOAKRASPTGS1PTGS2
SCHEMBL31326032 0.88 MAOB (1.00) MAOBMAOAKRASCYP1B1ALDH1A1
SCHEMBL10658787 0.88 MAOB (1.00) MAOBMAOAKRASCYP1B1ALDH1A1
SCHEMBL14435873 0.88 MAOB (1.00) MAOBMAOAKRASCYP1B1ALDH1A1
SCHEMBL10658782 0.88 MAOB (1.00) MAOBMAOAKRASCYP1B1ALDH1A1
SCHEMBL15807359 0.82 MAOB (0.71) MAOBMAOAKRASPTGS1PTGS2
SCHEMBL9112457 0.81 MAPT (0.75) MAOBKRASPTGS1PTGS2CYP1B1
SCHEMBL9112460 0.81 MAPT (0.75) MAOBKRASPTGS1PTGS2CYP1B1

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 MAOB 943/4885MAOA 904/4885KRAS 1129/4885

“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.

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