SCHEMBL12870972

SCHEMBL12870972

CC(=C1C(=O)CC(C)(C)CC1=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGES O14684 3/20 0.40
ALOX5 P09917 3/20 0.40
POLB P06746 2/20 0.39
MAOA P21397 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
MC4R P32245 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP2 O95551 1/20 0.33
SMAD3 P84022 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL18078982 0.77
SCHEMBL8083467 0.77 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL13191817 0.75 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL19130728 0.74 POLB (0.41) ALDH1A1MAPTKDM4EPTGESALOX5
SCHEMBL4067426 0.74 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EPTGESALOX5
SCHEMBL23364439 0.74 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPTGESALOX5
SCHEMBL7323969 0.73 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL7323961 0.73 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EPTGESALOX5
SCHEMBL12018164 0.71 POLB (0.41) ALDH1A1MAPTKDM4EPTGESALOX5
SCHEMBL21786201 0.70 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EPOLBMAOA

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-20110028337-A1 NUCLEOBASE CHARACTERISATION NUCLEOBASE CHARACTERISATION 2011-02-03 US disclosed
US-20110028337-A1 NUCLEOBASE CHARACTERISATION NUCLEOBASE CHARACTERISATION 2011-02-03 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-20110028337-A1 NUCLEOBASE CHARACTERISATION NT5C3B, NT5C2, NT5E ALDH1A1 1539/4885MAPT 3324/4885KDM4E 3588/4885

“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.