SCHEMBL4811389

SCHEMBL4811389

CCN(CC)c1ccc2c(c1)CCC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ CASP1 P29466 3/20 0.49
▸ CASP7 P55210 3/20 0.49
▸ HSD17B1 P14061 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TERT O14746 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
SCHEMBL6213189 0.91 HSD17B10 (0.66) ALDH1A1HSD17B10L3MBTL1MAPTHPGD
SCHEMBL29282570 0.90 MAOB (0.51) ALDH1A1HSD17B10L3MBTL1MAPTHPGD
SCHEMBL6776955 0.80 CASP1 (0.53) ALDH1A1HSD17B10CASP1CASP7HSD17B1
SCHEMBL19954776 0.77 ALDH1A1 (0.53) ALDH1A1HSD17B10L3MBTL1MAPTHPGD
SCHEMBL4894950 0.76 CYP3A4 (0.53) ALDH1A1HSD17B10L3MBTL1MAPTHPGD
SCHEMBL11736064 0.75 MAOB (0.46) HSD17B1MAOBGRM5
SCHEMBL25335549 0.75 HSD17B1 (0.40) HSD17B10MEN1KMT2AMAPK1CASP1
SCHEMBL29625244 0.75 HSD17B1 (0.40) HSD17B10MEN1KMT2AMAPK1CASP1
SCHEMBL91586 0.73 HSD17B1 (0.55) ALDH1A1HSD17B10L3MBTL1MAPTHPGD
SCHEMBL3966947 0.72 RXRA (0.47) HSD17B10CASP1CASP7HSD17B1MAOB

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 — — US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 — — 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 ALDH1A1 3848/4885HSD17B10 3236/4885L3MBTL1 2618/4885

“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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