SCHEMBL3227880

SCHEMBL3227880

CCOC(=O)CCn1c(=O)ccc2c(F)cccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
TNF P01375 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CREBBP Q92793 1/20 0.44
CNR2 P34972 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CXCR3 P49682 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3231703 0.84 LMNA (0.43) KDM4ETNFMEN1KMT2ACREBBP
SCHEMBL3225419 0.81 FABP4 (0.55) KDM4EALDH1A1
SCHEMBL3229548 0.79 ALDH1A1 (0.51) KDM4ETNFCREBBPCNR2ALDH1A1
SCHEMBL1128275 0.77 FNTA (0.68) KDM4ETNFCREBBPCNR2ALDH1A1
SCHEMBL3214955 0.76 KAT2B (0.43) KDM4ETNFMEN1KMT2ALMNA
SCHEMBL11514777 0.74 ALDH1A1 (0.71) KDM4ETNFMEN1KMT2ACREBBP
SCHEMBL19837234 0.73 HPGD (0.44) KDM4EALDH1A1
SCHEMBL29456238 0.73 HPGD (0.44) KDM4EALDH1A1
SCHEMBL11499782 0.72 TNF (0.48) KDM4ETNFMEN1KMT2ACNR2
SCHEMBL17924282 0.71 ALDH1A1 (0.59) KDM4EMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 KDM4E 3723/4885TNF 4111/4885MEN1 2398/4885

“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.