SCHEMBL12314656

SCHEMBL12314656

CCCSCCC(=O)OC(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL5016283 0.94 EPHX2 (0.38) LMNAALDH1A1HPGDEPHX2CA12
SCHEMBL5016284 0.87 LMNA (0.50) LMNAALDH1A1EPHX2CA12CA1
SCHEMBL18431843 0.87 TSHR (0.39) LMNAEPHX2CA12CA1CA2
SCHEMBL26220867 0.81 EPHX2 (0.38) LMNAALDH1A1EPHX2CA12CA1
SCHEMBL2980900 0.80 ALDH1A1 (0.50) LMNAALDH1A1EPHX2CA12CA1
SCHEMBL2989645 0.80 ALDH1A1 (0.50) LMNAALDH1A1EPHX2CA12CA1
SCHEMBL1585214 0.80 ALDH1A1 (0.50) LMNAALDH1A1EPHX2CA12CA1
SCHEMBL645070 0.80 CA12 (0.45) LMNAALDH1A1EPHX2CA12CA1
SCHEMBL13196194 0.79 LMNA (0.37) LMNAALDH1A1HPGDTDP1MAPT
SCHEMBL800744 0.78 EPHX2 (0.36) LMNAEPHX2CA12CA1CA2

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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B LMNA 3776/4885ALDH1A1 4394/4885HPGD 3481/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 LMNA 4241/4885ALDH1A1 2862/4885HPGD 3068/4885

“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.