SCHEMBL4864264

SCHEMBL4864264

CCCC[C@@H](C(C)=S)[C@H](C(C)C)N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4864268 0.77 MMP3 (0.34) HRH3SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL4873969 0.76 SPHK1 (0.37) HRH3SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL4875652 0.74 HRH3 (0.33) HRH3ALDH1A1MAPT
SCHEMBL4871930 0.73 HRH3 (0.36) HRH3
SCHEMBL4871935 0.73 HRH3 (0.36) HRH3
SCHEMBL4870075 0.71
SCHEMBL14269702 0.71 MAPT (0.33) HRH3SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL4864366 0.70
SCHEMBL3869954 0.67 HRH3 (0.41) HRH3SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL28237829 0.67 HRH3 (0.41) HRH3SLC6A2SLC6A3ALDH1A1MAPT

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 HRH3 1054/4885SLC6A2 2608/4885SLC6A3 1698/4885

“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.