SCHEMBL12415329

SCHEMBL12415329

CCCC(CC)OC(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
TSHR P16473 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 2/20 0.32
ATM Q13315 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL6896275 0.88 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5505348 0.82 ALDH1A1 (0.48) PRKCAPRKCDTSHRALDH1A1LMNA
SCHEMBL348985 0.82 PRKCA (0.49) PRKCAPRKCDTSHRALDH1A1CYP3A4
SCHEMBL18558920 0.81 TSHR (0.35) PRKCAPRKCDTSHRALDH1A1LMNA
SCHEMBL6896626 0.81 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL22644000 0.81 TSHR (0.34) PRKCAPRKCDTSHRSMN1; SMN2ALDH1A1
SCHEMBL4439992 0.80 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL1218297 0.80 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL2990189 0.80 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL21566978 0.80 PRKCA (0.47) PRKCAPRKCDTSHRALDH1A1CYP3A4

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-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 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-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB PRKCA 4414/4885PRKCD 4286/4885TSHR 1502/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE PRKCA 4275/4885PRKCD 3398/4885TSHR 1280/4885

“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.