SCHEMBL13007639

SCHEMBL13007639

CCCC[C@@H](CC)COCC(C)(C)CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.51
ALDH1A1 P00352 7/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CA2 P00918 3/20 0.37
RECQL P46063 1/20 0.36
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MEN1 O00255 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
SCHEMBL18427246 1.00 CYP3A4 (0.51) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL30910034 0.92 CYP3A4 (0.55) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL18427278 0.87 CYP3A4 (0.50) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL18427203 0.87 CYP3A4 (0.50) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL20653110 0.87 CYP3A4 (0.50) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL9514893 0.86 CYP3A4 (0.49) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL20653184 0.85 CYP3A4 (0.55) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL12976468 0.85 CYP3A4 (0.55) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL12976464 0.85 CYP3A4 (0.55) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL10584689 0.82 CYP3A4 (0.56) CYP3A4ALDH1A1L3MBTL1TSHRTDP1

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-20170204075-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-20 US disclosed
US-9556110-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-31 US disclosed
US-20100331234-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-30 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-20170204075-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT CYP3A4 1283/4885ALDH1A1 568/4885L3MBTL1 1893/4885
US-20100331234-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT CYP3A4 1283/4885ALDH1A1 568/4885L3MBTL1 1893/4885

“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.