SCHEMBL4875640

SCHEMBL4875640

O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.74
CYP1A2 P05177 6/20 0.74
CYP2C19 P33261 6/20 0.74
CYP3A4 P08684 5/20 0.74
CYP2D6 P10635 5/20 0.74
CYP2C9 P11712 5/20 0.74
KCNH2 Q12809 4/20 0.74
KCNE1 P15382 2/20 0.74
MAOB P27338 1/20 0.67
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9366911 1.00 KCNA5 (0.74) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL7089852 0.98 CYP2C19 (0.73) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4873121 0.98 CYP2C19 (0.73) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL23496077 0.98 CYP2C19 (0.73) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL16227209 0.86 KCNA5 (1.00) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL16226493 0.86 KCNA5 (1.00) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL16227210 0.86 KCNA5 (1.00) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11118177 0.83 CYP2C19 (0.71) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL23901671 0.81 MAOB (0.51) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4874914 0.81 CYP3A4 (0.61) KCNA5CYP1A2CYP2C19CYP3A4CYP2D6

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 KCNA5 1478/4885CYP1A2 303/4885CYP2C19 1121/4885

“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.