SCHEMBL4875658

SCHEMBL4875658

CCCC[C@@H]([C@H](C(=O)CS)C(C)C)N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 2/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SLC6A3 Q01959 9/20 0.32
SLC6A2 P23975 7/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A4 P31645 4/20 0.31
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
MMP9 P14780 2/20 0.31
SIGMAR1 Q99720 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
SCHEMBL4875652 0.77 HRH3 (0.33) MAPTALDH1A1HRH3
SCHEMBL4864268 0.77 MMP3 (0.34) MAPTALDH1A1L3MBTL1MAPK1NPSR1
SCHEMBL4866272 0.76 CHRM2 (0.32) DPP7SLC6A3SLC6A2SLC6A4
SCHEMBL4864379 0.74
SCHEMBL4869619 0.73 HRH3 (0.36) HRH3
SCHEMBL14269703 0.71 MAPT (0.33) MAPTALDH1A1L3MBTL1MAPK1NPSR1
SCHEMBL11843409 0.67 GPR84 (0.43) MAPTL3MBTL1
SCHEMBL8254468 0.65 HRH3 (0.37) MAPTALDH1A1L3MBTL1MAPK1NPSR1
SCHEMBL3869954 0.64 HRH3 (0.41) MAPTALDH1A1L3MBTL1MAPK1NPSR1
SCHEMBL28237829 0.64 HRH3 (0.41) MAPTALDH1A1L3MBTL1MAPK1NPSR1

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-7335781-B2 Aminothiol compound HUEY JIIN CO., LTD. (TW) 2008-02-26 US disclosed
US-20040181057-A1 perform as superior catalysts in asymmetric addition reactions wherein organic zinc and aldehyde are involved; Such catalyses are economically useful for industries HUEY JIIN CO., LTD. (TW) 2004-09-16 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-20040181057-A1 perform as superior catalysts in asymmetric addition reactions wherein organic zinc and aldehyde are involved; Such catalyses are economically useful for industries ALDH7A1, ALDH3A1, ALDH1A1 MAPT 3100/4885ALDH1A1 3/4885L3MBTL1 1019/4885

“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.