SCHEMBL4475253

SCHEMBL4475253

CC1(C)OB(c2ccc(C=O)c(N3CCCCC3)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A3 P47895 4/20 0.40
MAPT P10636 2/20 0.39
LPL P06858 6/20 0.38
LIPG Q9Y5X9 6/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK1 Q13464 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL21385308 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2ALDH1A3MAPTLPL
SCHEMBL19991500 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2ALDH1A3MAPTLPL
SCHEMBL790920 0.78 ALDH1A3 (0.47) ALDH1A1SMN1; SMN2ALDH1A3MAPTLPL
SCHEMBL30988471 0.78 LPL (0.44) ALDH1A1SMN1; SMN2LPLLIPGIDO1
SCHEMBL14243487 0.78 LPL (0.44) ALDH1A1SMN1; SMN2LPLLIPGIDO1
SCHEMBL17531628 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ALDH1A3MAPTLPL
SCHEMBL21378295 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2ALDH1A3MAPTCYP1A2
SCHEMBL23850797 0.77 S100B (0.50) ALDH1A1SMN1; SMN2MAPTLPLLIPG
SCHEMBL17531637 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTLPLLIPG
SCHEMBL22408519 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTLPLLIPG

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 ALDH1A1 675/4885SMN1; SMN2 3190/4885ALDH1A3 1572/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ALDH1A1 1320/4885SMN1; SMN2 1849/4885ALDH1A3 1412/4885

“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.