SCHEMBL13649316

SCHEMBL13649316

CC1=CC(=O)c2c(OC(=O)OCC(Cl)(Cl)Cl)cccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 5/20 0.54
▸ LMNA P02545 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ APAF1 O14727 1/20 0.54
▸ MITF O75030 1/20 0.54
▸ ELANE P08246 4/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ BLM P54132 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HSPD1 P10809 2/20 0.47
▸ CDC25A P30304 2/20 0.47
▸ CDC25B P30305 2/20 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
SCHEMBL17594035 0.79 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTAPAF1
SCHEMBL16473010 0.78 ALDH1A1 (0.68) ALDH1A1MAPTLMNAHTTAPAF1
SCHEMBL16473004 0.77 ALDH1A1 (0.62) ALDH1A1MAPTLMNAHTTAPAF1
SCHEMBL16473005 0.77 ALDH1A1 (0.62) ALDH1A1MAPTLMNAHTTAPAF1
SCHEMBL15994240 0.74 MAPT (0.61) ALDH1A1MAPTLMNAHTTAPAF1
SCHEMBL16473011 0.74 TOP1 (0.64) ALDH1A1MAPTLMNAHTTAPAF1
SCHEMBL30003269 0.72 ALDH1A1 (1.00) ALDH1A1MAPTLMNAHTTAPAF1
SCHEMBL9627716 0.72 ALDH1A1 (1.00) ALDH1A1MAPTLMNAHTTAPAF1
SCHEMBL9629398 0.71 MAPT (0.69) ALDH1A1MAPTLMNAHTTAPAF1
SCHEMBL13649317 0.71 ELANE (0.42) MAPTLMNAELANEHPGDKDM4E

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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 — — US disclosed
US-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 — — 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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 ALDH1A1 709/4885MAPT 3602/4885LMNA 173/4885

“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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