SCHEMBL6501989

SCHEMBL6501989

C[N+](C)(C)CCCCC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPK1 P28482 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
LMNA P02545 1/20 0.51
EPHX2 P34913 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NOTUM Q6P988 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL24180312 0.95 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL18673 0.87 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL118235 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL20624816 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL10621326 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL2926392 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL28434793 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL4941879 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL28600680 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNAEPHX2
SCHEMBL10621313 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNAEPHX2

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-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 ALDH1A1 1997/4885MAPK1 1239/4885L3MBTL1 971/4885

“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.