SCHEMBL5456799

SCHEMBL5456799

CC1OC(C)(C(=O)O)OCC1CCCCn1c2ccccc2c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.44
FABP5 Q01469 3/20 0.44
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
CNR2 P34972 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
FABP3 P05413 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL5460806 0.84 FABP4 (0.50) FABP4FABP5HDAC1HDAC6CNR2
SCHEMBL5450513 0.81 SMN1; SMN2 (0.40) HDAC1HDAC6ALDH1A1TSHRHTT
SCHEMBL5450514 0.79 SIGMAR1 (0.37) HDAC1HDAC6SIGMAR1MEN1KMT2A
SCHEMBL5450715 0.78 KDM1A (0.44) HDAC6SIGMAR1MEN1KMT2ALMNA
SCHEMBL5447963 0.78 PPARA (0.42)
SCHEMBL5456849 0.77 CHRM1 (0.48) MEN1KMT2AALDH1A1CYP2C9TSHR
SCHEMBL3770889 0.77 LMNA (0.37) HDAC1CNR2KMT2ALMNAALDH1A1
SCHEMBL5460717 0.77 CHRM1 (0.43) HDAC1HDAC6SIGMAR1LMNAALDH1A1
SCHEMBL5444659 0.76 KMT2A (0.40) KMT2ALMNAALDH1A1TSHR
SCHEMBL5449476 0.76 ALDH1A1 (0.40) HDAC1HDAC6MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LIMITED (IN) 2007-05-10 US claimed
US-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LIMITED (IN) 2007-05-10 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 (1 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-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes GPR119, PPARG, FABP4 FABP4 3/4885FABP5 82/4885HDAC1 479/4885

“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.