SCHEMBL4459856

SCHEMBL4459856

COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
GSK3B P49841 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
HIF1A Q16665 4/20 0.40
DGAT1 O75907 1/20 0.39
ROCK1 Q13464 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LIPG Q9Y5X9 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
LPL P06858 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL27261291 0.87 HIF1A (0.47) AAK1HIF1ADGAT1ROCK1KDM4E
SCHEMBL4159434 0.86 LIPG (0.40) AAK1HIF1AROCK1LIPGLPL
SCHEMBL16304135 0.86 HIF1A (0.42) AAK1HIF1ADGAT1ROCK1KDM4E
SCHEMBL4460111 0.84 LIPG (0.48) GSK3BHIF1ADGAT1ROCK1KDM4E
SCHEMBL18241285 0.84 HIF1A (0.40) AAK1HIF1ADGAT1ROCK1LIPG
SCHEMBL20561755 0.81 ROCK1 (0.41) AAK1HIF1ADGAT1ROCK1LIPG
SCHEMBL25035049 0.81 HIF1A (0.43) HIF1ADGAT1KDM4EALDH1A1LIPG
SCHEMBL4584823 0.81 ADRB3 (0.45) AAK1HIF1AROCK1CA1CA2
SCHEMBL3188123 0.81 HIF1A (0.39) AAK1HIF1ADGAT1KDM4EALDH1A1
SCHEMBL16304140 0.81 HIF1A (0.39) AAK1HIF1ADGAT1ROCK1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
CN-1802355-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2006-07-12 CN disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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 (2 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 CDK4 4005/4885CCND1 2454/4885GSK3B 4152/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 CDK4 4174/4885CCND1 3360/4885GSK3B 3267/4885

“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.