SCHEMBL7862954

SCHEMBL7862954

CC(O)CN[C]1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
RECQL P46063 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL3920578 0.78 RECQL (0.36) KDM4EMEN1KMT2APOLBCYP2D6
SCHEMBL5259182 0.67
SCHEMBL5258503 0.67
SCHEMBL25398815 0.64 CYP2D6 (0.33) MEN1LMNAKMT2ANPSR1CYP2D6
SCHEMBL1828781 0.64
SCHEMBL8466516 0.64 ESR1 (0.45) KDM4EALDH1A1SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL7473806 0.64 GAA (0.39) SMN1; SMN2MEN1LMNAKMT2ACYP2D6
SCHEMBL1824933 0.61
SCHEMBL438321 0.61
SCHEMBL1669422 0.61

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-20140249165-A1 PURINE DERIVATIVES FOR TREATMENT OF CYSTIC DISEASES GENZYME CORPORATION (US) 2014-09-04 US disclosed
US-6316456-B1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-11-13 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-20140249165-A1 PURINE DERIVATIVES FOR TREATMENT OF CYSTIC DISEASES TYMP, PKD1, CFTR KDM4E 4153/4885ALDH1A1 1959/4885SMN1; SMN2 1900/4885

“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.