SCHEMBL3486833

SCHEMBL3486833

CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)O)CCCNC(=O)C(F)(F)F

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.89
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 1/20 0.42
CA3 P07451 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL3297024 0.95 CA14 (0.81) CA14POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL1274571 0.94 CA14 (1.00) CA14POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL14439578 0.89 CA14 (0.89) CA14POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL1273893 0.88 CA14 (0.87) CA14POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL12934879 0.85 CA14 (0.81) CA14POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL13522675 0.85 CA14 (0.81) CA14POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL5464993 0.84 CA14 (0.80) CA14POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL10182494 0.83 CA14 (0.78) CA14POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL25756499 0.83 CA14 (0.78) CA14POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL10231797 0.83 CA14 (0.78) CA14POLBALDH1A1SMN1; SMN2MEN1

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-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-19 US disclosed
WO-2009129385-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO 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-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 CA14 2685/4885POLB 3421/4885ALDH1A1 4724/4885
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 CA14 2685/4885POLB 3421/4885ALDH1A1 4724/4885

“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.