SCHEMBL4874899

SCHEMBL4874899

CC(C)[C@@H]([C@H](O)c1ccccc1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2C9 P11712 5/20 0.50
CYP2C19 P33261 5/20 0.50
CYP1A2 P05177 4/20 0.50
KCNA5 P22460 4/20 0.50
KCNH2 Q12809 4/20 0.50
KCNE1 P15382 1/20 0.48
MAOB P27338 1/20 0.48
LMNA P02545 3/20 0.46
ADRA2C P18825 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ADRA2A P08913 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL21758873 0.81 CYP2D6 (0.54) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL2714385 0.81 CYP2D6 (0.54) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL597166 0.81 CYP2D6 (0.54) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL2712368 0.81 CYP2D6 (0.54) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL2714074 0.81 CYP2D6 (0.54) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL523547 0.81 CYP2D6 (0.54) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL2699322 0.81 CYP2D6 (0.54) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL21093474 0.81 CYP2D6 (0.54) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL12588287 0.80 CYP2D6 (0.55) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL21093519 0.80 CYP2D6 (0.55) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2

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 CYP2D6 580/4885CYP3A4 402/4885CYP2C9 651/4885

“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.