SCHEMBL6770468

SCHEMBL6770468

CC(=O)Nc1cc(C)cc(C(=O)C=Cc2ccc(OCc3ccccc3)c(Br)c2)c1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.49
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CTSL P07711 2/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ TLR9 Q9NR96 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HTT P42858 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
SCHEMBL6770462 1.00 APP (0.49) APPRAB9ASMN1; SMN2CTSLBRD4
SCHEMBL6771284 0.86 CTSV (0.49) APPCTSLBRD4KDM4EHPGD
SCHEMBL6771272 0.86 CTSV (0.49) APPCTSLBRD4KDM4EHPGD
SCHEMBL25185040 0.80 APP (0.58) APPRAB9ASMN1; SMN2CTSLKDM4E
SCHEMBL30385165 0.80 APP (0.58) APPRAB9ASMN1; SMN2CTSLKDM4E
SCHEMBL25208864 0.73 MAOB (0.60) APPSMN1; SMN2KDM4EHPGDLMNA
SCHEMBL6772371 0.73 CTSV (0.50) APPRAB9ASMN1; SMN2CTSLKDM4E
SCHEMBL6772382 0.73 CTSV (0.50) APPRAB9ASMN1; SMN2CTSLKDM4E
SCHEMBL6770151 0.72 BACE1 (0.48) APPKDM4EHPGDLMNAPDE4A
SCHEMBL6770154 0.72 BACE1 (0.48) APPKDM4EHPGDLMNAPDE4A

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 APP 4466/4885RAB9A 4302/4885SMN1; SMN2 4162/4885

“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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