SCHEMBL4469807

SCHEMBL4469807

COC(=O)c1ccc(-c2ccc(CCNC(=O)OCc3ccccc3)cc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
MAPT P10636 3/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM5B Q9UGL1 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SLC2A1 P11166 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 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
SCHEMBL205765 0.85 MGLL (0.65) MGLLMAPTRAB9AL3MBTL1LMNA
SCHEMBL4463247 0.84 ROCK2 (0.52) MAPTRAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL25335534 0.79 MAPT (0.57) MGLLMAPTRAB9AL3MBTL1LMNA
SCHEMBL4841514 0.78 L3MBTL1 (0.61) MGLLMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL2851561 0.77 LMNA (0.61) MAPTL3MBTL1LMNASMN1; SMN2HDAC3
SCHEMBL3748237 0.76 EGFR (0.63) MAPTRAB9AL3MBTL1SLC2A1ROCK2
Benzyl Phenethylcarbamate SCHEMBL4287199 0.76 LMNA (0.73) MAPTRAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL12859967 0.76 MAPT (0.50) MGLLMAPTRAB9AL3MBTL1LMNA
SCHEMBL4465627 0.76 RARB (0.51) SLC2A1ROCK2ROCK1RARBADRB1
SCHEMBL23512356 0.75 SLC2A1 (0.53) MGLLMAPTRAB9ASMN1; SMN2SLC2A1

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 4 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
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 MGLL 1520/4885MAPT 3476/4885RAB9A 1763/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 MGLL 4166/4885MAPT 4671/4885RAB9A 2688/4885

“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.