SCHEMBL4875344

SCHEMBL4875344

S[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.57
CYP2C19 P33261 5/20 0.57
ALDH1A1 P00352 4/20 0.57
TSHR P16473 1/20 0.57
HIF1A Q16665 1/20 0.52
KCNA5 P22460 5/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 4/20 0.50
KCNH2 Q12809 4/20 0.50
KCNE1 P15382 1/20 0.48
LMNA P02545 1/20 0.47
GRM5 P41594 1/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 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
SCHEMBL4874342 0.83 KCNA5 (0.73) CYP3A4CYP2C19ALDH1A1TSHRKCNA5
SCHEMBL4874971 0.81 KCNA5 (0.74) CYP3A4CYP2C19ALDH1A1TSHRKCNA5
SCHEMBL27605579 0.80 CYP3A4 (0.55) CYP3A4CYP2C19ALDH1A1TSHRHIF1A
SCHEMBL14773209 0.79 CYP3A4 (0.61) CYP3A4CYP2C19ALDH1A1TSHRHIF1A
SCHEMBL4874914 0.79 CYP3A4 (0.61) CYP3A4CYP2C19ALDH1A1TSHRHIF1A
SCHEMBL19506816 0.77 ALDH1A1 (0.64) CYP3A4CYP2C19ALDH1A1TSHRHIF1A
SCHEMBL18653081 0.77 ALDH1A1 (0.64) CYP3A4CYP2C19ALDH1A1TSHRHIF1A
SCHEMBL2793637 0.75 ALDH1A1 (0.67) CYP3A4CYP2C19ALDH1A1TSHRKCNA5
SCHEMBL4610816 0.75 GRM5 (0.71) CYP3A4CYP2C19ALDH1A1TSHRHIF1A
SCHEMBL4866347 0.72 ALDH1A1 (0.55) CYP3A4CYP2C19ALDH1A1TSHRHIF1A

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 CYP3A4 402/4885CYP2C19 1121/4885ALDH1A1 3/4885

“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.