SCHEMBL6770296

SCHEMBL6770296

Cc1cc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.61
▸ BACE1 P56817 5/20 0.59
▸ SLC5A1 P13866 1/20 0.57
▸ SLC5A2 P31639 1/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.56
▸ GSK3B P49841 4/20 0.56
▸ MAOB P27338 2/20 0.54
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ EGFR P00533 1/20 0.50
▸ ERBB2 P04626 1/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6770302 1.00 APP (0.61) APPBACE1SLC5A1SLC5A2ABCG2
SCHEMBL6770519 0.91 CYSLTR2 (0.58) APPBACE1SLC5A1SLC5A2MAOB
SCHEMBL6770521 0.91 CYSLTR2 (0.58) APPBACE1SLC5A1SLC5A2MAOB
SCHEMBL6772382 0.89 CTSV (0.50) APPBACE1MEN1KMT2AMAPT
SCHEMBL6772371 0.89 CTSV (0.50) APPBACE1MEN1KMT2AMAPT
SCHEMBL6770154 0.88 BACE1 (0.48) APPBACE1SLC5A1SLC5A2ABCG2
SCHEMBL6770151 0.88 BACE1 (0.48) APPBACE1SLC5A1SLC5A2ABCG2
SCHEMBL6771118 0.88 BACE1 (0.55) APPBACE1SLC5A1SLC5A2MEN1
SCHEMBL6771112 0.88 BACE1 (0.55) APPBACE1SLC5A1SLC5A2MEN1
SCHEMBL6776282 0.87 BACE1 (0.47) APPBACE1SLC5A1SLC5A2MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683095-B2 ANTICARCINOGENIC AGENTS; ANTIPROLIFERATION AGENTS LG LIFE SCIENCES LTD. (KR) 2004-01-27 — — US disclosed
US-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure LG LIFE SCIENCES LTD. (KR) 2003-07-03 — — US disclosed
EP-1280789-A1 CDK INHIBITORS HAVING 3-HYDROXYCHROMEN-4-ONE STRUCTURE LG Life Sciences Ltd. (KR) 2003-02-05 — — EP disclosed
WO-2001083469-A1 CDK INHIBITORS HAVING 3-HYDROXYCHROMEN-4-ONE STRUCTURE LG LIFE SCIENCES LTD. (KR) 2001-11-08 — — 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-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure CDK4, CDK3, CDK6 APP 4466/4885BACE1 3740/4885SLC5A1 1621/4885

“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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