SCHEMBL13544342

SCHEMBL13544342

CCCCOCC1CC(=O)CCO1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDK1 Q15118 1/20 0.42
TSHR P16473 2/20 0.39
EPHX1 P07099 1/20 0.36
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 3/20 0.34
CRBN Q96SW2 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.33
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL18526030 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1TDP1PDK1TSHR
SCHEMBL15986952 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1PDK1TSHR
SCHEMBL14476001 0.77 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1TDP1PDK1TSHR
SCHEMBL2181771 0.77 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1TDP1PDK1TSHR
SCHEMBL3962816 0.77 EPHX1 (0.53) ALDH1A1EPHX1CYP1A2
SCHEMBL20211423 0.76 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TDP1PDK1TSHR
SCHEMBL3331009 0.76 PDK1 (0.36) PDK1
SCHEMBL10144377 0.76 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1PDK1TSHR
SCHEMBL9228942 0.74 KDM4E (0.35) ALDH1A1EPHX1POLBCYP1A2KDM4E
SCHEMBL15496325 0.74

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-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 SMN1; SMN2 2207/4885ALDH1A1 1265/4885TDP1 4174/4885
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L SMN1; SMN2 599/4885ALDH1A1 3768/4885TDP1 154/4885

“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.