SCHEMBL4873969

SCHEMBL4873969

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
SLC6A3 Q01959 6/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL4871930 0.78 HRH3 (0.36) HRH3
SCHEMBL4871935 0.78 HRH3 (0.36) HRH3
SCHEMBL4864264 0.76 HRH3 (0.33) HRH3SLC6A3MAPTALDH1A1SLC6A2
SCHEMBL4864268 0.73 MMP3 (0.34) HRH3SLC6A3MAPTALDH1A1L3MBTL1
SCHEMBL14269702 0.73 MAPT (0.33) HRH3SLC6A3MAPTALDH1A1L3MBTL1
SCHEMBL10440046 0.72 HRH3 (0.42) HRH3SLC6A3MAPTALDH1A1L3MBTL1
SCHEMBL3869954 0.71 HRH3 (0.41) HRH3SLC6A3MAPTALDH1A1L3MBTL1
SCHEMBL28237829 0.71 HRH3 (0.41) HRH3SLC6A3MAPTALDH1A1L3MBTL1
SCHEMBL4873342 0.71 SMN1; SMN2 (0.33)
SCHEMBL109083 0.70

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 4 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-7335781-B2 Aminothiol compound HUEY JIIN CO., LTD. (TW) 2008-02-26 US disclosed
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 SPHK1 4590/4885HRH3 1054/4885SLC6A3 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.