SCHEMBL4479042

SCHEMBL4479042

O=C(O)N(CCc1ccc(O)cc1)C[C@@H](O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 2/20 0.50
GLI2 P10070 2/20 0.50
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPV1 Q8NER1 3/20 0.42
AOC3 Q16853 1/20 0.41
DPP4 P27487 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4479037 1.00 GLI1 (0.50) GLI1GLI2KDM4EMEN1KMT2A
SCHEMBL7116379 0.87 KDM4E (0.47) GLI1GLI2KDM4EMEN1KMT2A
SCHEMBL4584829 0.87 MEN1 (0.48) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4584835 0.87 MEN1 (0.48) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7116373 0.87 KDM4E (0.47) GLI1GLI2KDM4EMEN1KMT2A
SCHEMBL4465914 0.86 GLI1 (0.47) GLI1GLI2
SCHEMBL4465920 0.86 GLI1 (0.47) GLI1GLI2
SCHEMBL4558403 0.86 CYP51A1 (0.47) GLI1GLI2
SCHEMBL4558402 0.86 CYP51A1 (0.47) GLI1GLI2
SCHEMBL4478737 0.83 ADRB3 (0.51) GLI1GLI2

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 GLI1 3975/4885GLI2 3319/4885KDM4E 2289/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 GLI1 1244/4885GLI2 1428/4885KDM4E 1554/4885

“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.