SCHEMBL4875652

SCHEMBL4875652

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
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
SCHEMBL4875658 0.77 MAPT (0.33) HRH3ALDH1A1MAPT
SCHEMBL4864264 0.74 HRH3 (0.33) HRH3ALDH1A1MAPT
SCHEMBL4869619 0.73 HRH3 (0.36) HRH3
SCHEMBL4866266 0.71 SMN1; SMN2 (0.33)
SCHEMBL14269703 0.71 MAPT (0.33) HRH3ALDH1A1MAPT
SCHEMBL4864366 0.70
SCHEMBL8254468 0.68 HRH3 (0.37) HRH3ALDH1A1MAPT
SCHEMBL28237829 0.67 HRH3 (0.41) HRH3ALDH1A1MAPT
SCHEMBL3869954 0.67 HRH3 (0.41) HRH3ALDH1A1MAPT
SCHEMBL8252014 0.67 SLC6A3 (0.36)

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 1054/4885ALDH1A1 3/4885MAPT 3100/4885

“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.