SCHEMBL7187233

SCHEMBL7187233

COc1cc(OC)c(OC)c(OC)c1/C=C/C(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 1/20 0.62
▸ ABCG2 Q9UNQ0 6/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ BCHE P06276 1/20 0.58
▸ ABCB1 P08183 2/20 0.58
▸ KRAS P01116 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ NLRP3 Q96P20 1/20 0.53

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
SCHEMBL7187236 1.00 TNFRSF1A (0.62) TNFRSF1AABCG2NPC1MAPTRAB9A
SCHEMBL27860092 0.89 TNFRSF1A (0.59) TNFRSF1AABCG2NPC1MAPTRAB9A
SCHEMBL6714554 0.89 TNFRSF1A (0.59) TNFRSF1AABCG2NPC1MAPTRAB9A
SCHEMBL7193630 0.89 TNFRSF1A (0.59) TNFRSF1AABCG2NPC1MAPTRAB9A
SCHEMBL7194858 0.89 TNFRSF1A (0.59) TNFRSF1AABCG2NPC1MAPTRAB9A
SCHEMBL7196533 0.89 ABCG2 (0.56) TNFRSF1AABCG2NPC1MAPTRAB9A
SCHEMBL7196529 0.89 ABCG2 (0.56) TNFRSF1AABCG2NPC1MAPTRAB9A
SCHEMBL8146123 0.85 MAPT (0.59) TNFRSF1AABCG2NPC1MAPTRAB9A
SCHEMBL4446257 0.84 ABCB1 (0.65) TNFRSF1AABCG2MAPTLMNAABCB1
SCHEMBL4864059 0.83 NPC1 (0.67) TNFRSF1AABCG2NPC1MAPTRAB9A

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 claimed
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 claimed
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 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 TNFRSF1A 590/4885ABCG2 1177/4885NPC1 3105/4885

“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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