SCHEMBL6771284

SCHEMBL6771284

CC(=O)Nc1cc(C)cc(C(=O)C=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.49
▸ CTSL P07711 4/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ BACE1 P56817 1/20 0.47
▸ APP P05067 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6771272 1.00 CTSV (0.49) CTSVCTSLCYP19A1BACE1APP
SCHEMBL6772371 0.89 CTSV (0.50) CTSVCTSLBACE1APPKDM4E
SCHEMBL6772382 0.89 CTSV (0.50) CTSVCTSLBACE1APPKDM4E
SCHEMBL6770462 0.86 APP (0.49) CTSLBACE1APPBRD4KDM4E
SCHEMBL6770468 0.86 APP (0.49) CTSLBACE1APPBRD4KDM4E
SCHEMBL6777958 0.84 CYSLTR2 (0.50) CTSVCTSLBACE1APPKDM4E
SCHEMBL6777964 0.84 CYSLTR2 (0.50) CTSVCTSLBACE1APPKDM4E
SCHEMBL6770154 0.82 BACE1 (0.48) BACE1APPKDM4EALDH1A1HPGD
SCHEMBL6770151 0.82 BACE1 (0.48) BACE1APPKDM4EALDH1A1HPGD
SCHEMBL16076970 0.81 CTSV (0.56) CTSVCTSLBACE1APPKDM4E

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 CTSV 3277/4885CTSL 3005/4885CYP19A1 357/4885

“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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