SCHEMBL17816459

SCHEMBL17816459

CCCCC(CC)COCC(O)CN(C)CCO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.43
ALDH1A1 P00352 7/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.35
CA2 P00918 2/20 0.35
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL13844280 0.87 CYP3A4 (0.42) CYP3A4ALDH1A1TSHRTDP1ATM
SCHEMBL1626697 0.87 CYP3A4 (0.44) CYP3A4ALDH1A1TSHRTDP1ATM
SCHEMBL13844249 0.85 CYP3A4 (0.40) CYP3A4ALDH1A1TSHRTDP1ATM
SCHEMBL1629758 0.82 CYP3A4 (0.43) CYP3A4ALDH1A1TSHRTDP1ATM
SCHEMBL15666057 0.81 ALDH1A1 (0.52) CYP3A4ALDH1A1TSHRTDP1ATM
SCHEMBL101962 0.81 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRTDP1ATM
SCHEMBL14278859 0.80 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRTDP1ATM
SCHEMBL13844362 0.79 ALDH1A1 (0.36) CYP3A4ALDH1A1TSHRTDP1ATM
SCHEMBL19462801 0.79 ALDH1A1 (0.55) CYP3A4ALDH1A1TSHRTDP1ATM
SCHEMBL99276 0.79 ALDH1A1 (0.55) CYP3A4ALDH1A1TSHRTDP1ATM

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-20160160142-A1 QUATERNARY AMMONIUM COMPOUNDS AS FUEL OR LUBRICANT ADDITIVES INNOSPEC LIMITED (GB) 2016-06-09 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-20160160142-A1 QUATERNARY AMMONIUM COMPOUNDS AS FUEL OR LUBRICANT ADDITIVES KAT2B, KAT6A, KAT5 CYP3A4 1469/4885ALDH1A1 1086/4885TSHR 2388/4885

“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.