SCHEMBL13624062

SCHEMBL13624062

C[S+]([O-])CCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HRH3 Q9Y5N1 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
APP P05067 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL13634697 0.85 HRH3 (0.38) HRH3SMN1; SMN2CYP3A4
SCHEMBL13461863 0.79 DRD2 (0.48) KDM4EKMT2AMEN1NPC1NPSR1
SCHEMBL20234326 0.78 HRH3 (0.61) KDM4EHRH3SMN1; SMN2APPKMT2A
SCHEMBL22248702 0.78 HRH3 (0.62) KDM4EHRH3SMN1; SMN2APPKMT2A
SCHEMBL12585293 0.77 KCNA3 (0.54) ALDH1A1
SCHEMBL22248703 0.77 HRH3 (0.65) KDM4EHRH3SMN1; SMN2APPKMT2A
SCHEMBL9593021 0.75 HRH3 (0.57) KDM4EHRH3SMN1; SMN2APPKMT2A
SCHEMBL271059 0.75 KDM4E (0.56) KDM4EHRH3SMN1; SMN2APPKMT2A
SCHEMBL13624071 0.74 LMNA (0.36) LMNATP53ALDH1A1CYP3A4
SCHEMBL22831358 0.74 KCNH2 (0.53) KDM4EHRH3SMN1; SMN2APPRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF KDM4E 4267/4885HRH3 2874/4885SMN1; SMN2 4525/4885

“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.