SCHEMBL16264227

SCHEMBL16264227

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 4/20 0.37
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
SMPD1 P17405 1/20 0.32
MAPK1 P28482 1/20 0.32
NAAA Q02083 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
SCHEMBL17133406 0.95 FFAR1 (0.34) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL12960957 0.95 FFAR1 (0.34) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL10087911 0.91 LMNA (0.33) KMT2AL3MBTL1TDP1LMNACYP4F2
SCHEMBL16260755 0.85 ABCB1 (0.38) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL17470592 0.82 MGAM (0.34) KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL6897007 0.82 MGAM (0.34) KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL9311001 0.82 FFAR1 (0.45) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL6896381 0.81 ABCB1 (0.36) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20457453 0.80 FFAR1 (0.48) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL19861329 0.80 FFAR1 (0.48) MAPTMEN1KMT2AATML3MBTL1

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-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LTD (IE) 2014-11-27 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-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE MAPT 165/4885MEN1 1443/4885KMT2A 1652/4885

“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.