SCHEMBL3229548

SCHEMBL3229548

CCOC(=O)CCn1c(=O)ccc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.50
TNF P01375 2/20 0.49
CREBBP Q92793 1/20 0.48
CXCR3 P49682 1/20 0.47
PTPN1 P18031 1/20 0.46
CA12 O43570 1/20 0.45
BRD4 O60885 1/20 0.45
BRPF1 P55201 1/20 0.45
CA9 Q16790 1/20 0.45
KAT2B Q92831 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
CNR2 P34972 2/20 0.45
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3405552 0.83 KAT2B (0.43) ALDH1A1KDM4ETNFKAT2BCNR2
SCHEMBL3214955 0.83 KAT2B (0.43) ALDH1A1KDM4ETNFKAT2B
SCHEMBL11006782 0.82 TP53 (0.58) ALDH1A1KDM4ECREBBPRAB9A
SCHEMBL3403616 0.82 MTNR1A (0.46) ALDH1A1TNFKAT2BRAB9AGAA
SCHEMBL11514777 0.81 ALDH1A1 (0.71) ALDH1A1KDM4ETNFCREBBPCXCR3
SCHEMBL3226989 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ECA12BRD4BRPF1
SCHEMBL3227880 0.79 KDM4E (0.49) ALDH1A1KDM4ETNFCREBBPCXCR3
SCHEMBL6701625 0.78 ALDH1A1 (0.59) ALDH1A1KDM4ECREBBPCNR2
SCHEMBL15622413 0.78 KDM4E (0.68) ALDH1A1KDM4ECREBBPCXCR3CNR2
SCHEMBL1128275 0.78 FNTA (0.68) ALDH1A1KDM4ETNFCREBBPCXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 ALDH1A1 4233/4885KDM4E 3723/4885TNF 4111/4885

“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.