SCHEMBL6771118

SCHEMBL6771118

Cc1cc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.55
▸ HDAC8 Q9BY41 2/20 0.50
▸ APP P05067 2/20 0.47
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL6771112 1.00 BACE1 (0.55) BACE1HDAC8APPSLC5A1SLC5A2
SCHEMBL6770296 0.88 APP (0.61) BACE1APPSLC5A1SLC5A2SMN1; SMN2
SCHEMBL6770302 0.88 APP (0.61) BACE1APPSLC5A1SLC5A2SMN1; SMN2
SCHEMBL6770521 0.85 CYSLTR2 (0.58) BACE1APPSLC5A1SLC5A2SMN1; SMN2
SCHEMBL6770519 0.85 CYSLTR2 (0.58) BACE1APPSLC5A1SLC5A2SMN1; SMN2
SCHEMBL6772371 0.83 CTSV (0.50) BACE1APPSMN1; SMN2NPC1RAB9A
SCHEMBL6772382 0.83 CTSV (0.50) BACE1APPSMN1; SMN2NPC1RAB9A
SCHEMBL6770154 0.82 BACE1 (0.48) BACE1APPSLC5A1SLC5A2KDM4E
SCHEMBL6770151 0.82 BACE1 (0.48) BACE1APPSLC5A1SLC5A2KDM4E
SCHEMBL6776282 0.81 BACE1 (0.47) BACE1APPSLC5A1SLC5A2SMN1; SMN2

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 2 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

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 BACE1 3740/4885HDAC8 381/4885APP 4466/4885

“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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