SCHEMBL13624055

SCHEMBL13624055

COc1cc(C(C)(C)C)ccc1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.68
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.52
APP P05067 2/20 0.49
NR1H4 Q96RI1 1/20 0.48
ELANE P08246 1/20 0.48

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
SCHEMBL13757719 0.92 CYP2C19 (0.74) CYP2C19MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7844241 0.86 CYP2C19 (0.51) CYP2C19MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7846219 0.86 SNCA (0.56) CYP2C19MEN1KMT2APOLBSMN1; SMN2
SCHEMBL17896571 0.84 CYP2C19 (0.72) CYP2C19KMT2ASMN1; SMN2PTGDR2ELANE
SCHEMBL5284414 0.83 PTGDR2 (0.70) CYP2C19MEN1KMT2ASMN1; SMN2PTGDR2
SCHEMBL13580642 0.83 CYP2C19 (0.66) CYP2C19POLBSMN1; SMN2PTGDR2NR1H4
SCHEMBL7844967 0.81 CYP2C19 (0.52) CYP2C19MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5321878 0.81 CYP2C19 (0.68) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL14076372 0.81 CYP2C19 (0.68) CYP2C19MEN1KMT2ASMN1; SMN2PTGDR2
SCHEMBL4909292 0.81 CYP2C19 (0.68) CYP2C19MEN1KMT2ASMN1; SMN2PTGDR2

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 CYP2C19 1104/4885MEN1 1994/4885KMT2A 3986/4885

“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.