SCHEMBL14616286

SCHEMBL14616286

CC(=O)c1ncnn1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HCAR3 P49019 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
SCHEMBL31086695 0.82 TSHR (0.31) ALDH1A1ATML3MBTL1KDM4ELMNA
SCHEMBL12410714 0.82 ALDH1A1 (0.41) ALDH1A1ATML3MBTL1LMNA
SCHEMBL9818987 0.79 RET (0.30)
SCHEMBL12410717 0.79 KMT2A (0.32) LMNA
SCHEMBL404126 0.74
SCHEMBL1485662 0.69 SRC (0.35) ALDH1A1KDM4E
SCHEMBL403843 0.69 MEN1 (0.32) ALDH1A1
SCHEMBL12556553 0.69
SCHEMBL30054311 0.67 NPC1 (0.38) ALDH1A1KDM4ELMNAHTT
SCHEMBL2930313 0.66 ALDH1A1 (0.31) ALDH1A1KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences ,Inc. (US) 2013-01-17 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-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS PNP, TYMP, ENTPD5 ALDH1A1 3202/4885ATM 1808/4885L3MBTL1 949/4885

“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.