SCHEMBL4013684

SCHEMBL4013684

CC(=O)OC(CNC(C)(C)CCn1cnnc1)c1ccc(OCc2ccccc2)c(CO)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
LMNA P02545 1/20 0.37
ELANE P08246 4/20 0.36
ADRB2 P07550 3/20 0.36
F2 P00734 1/20 0.36
CTSG P08311 1/20 0.35
PTGER1 P34995 4/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
Acetic Acid SCHEMBL4013680 0.88 ADRB2 (0.47) CCR5LMNAADRB2ADRB1ADRB3
SCHEMBL4014708 0.86 ADRB2 (0.50) CCR5LMNAADRB2ADRB1ADRB3
SCHEMBL4013682 0.83 ADRB2 (0.40) CCR5LMNAADRB2MTNR1AMTNR1B
SCHEMBL10634796 0.77 ADRB2 (0.47) CCR5ADRB2ADRB1TDP1CYP1A2
SCHEMBL12158792 0.76 ADRB2 (0.43) CCR5LMNAADRB2F2PTGER1
SCHEMBL12158790 0.76 ADRB2 (0.43) CCR5LMNAADRB2F2PTGER1
SCHEMBL11747826 0.74 ADRB2 (0.59) CCR5LMNAADRB2ADRB1ADRB3
SCHEMBL4014681 0.74 ADRB2 (0.48) CCR5LMNAADRB2ADRB1ADRB3
SCHEMBL6112059 0.72 CCR5 (0.41) CCR5LMNAELANEADRB2F2
SCHEMBL4392141 0.71 ADRB2 (0.47) CCR5LMNAELANEADRB2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511067-B2 3-hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOUYSSOU THIERRY 2008-06-05 US disclosed
US-20050234112-A1 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234112-A1 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases PAH, CYP11B1, CYP11B2 CCR5 1565/4885LMNA 1073/4885ELANE 790/4885
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES PAH, CYP1A1, CYP11B1 CCR5 1994/4885LMNA 1721/4885ELANE 816/4885

“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.