SCHEMBL4459751

SCHEMBL4459751

CC1(C)OC(=O)C(C(=O)O)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
PTPN1 P18031 4/20 0.38
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
ACP1 P24666 2/20 0.32
CDC25B P30305 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ESR1 P03372 1/20 0.32
APLNR P35414 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1012423 0.81 BACE1 (0.46) BACE1PTPN1ALDH1A1GLANPSR1
SCHEMBL31603 0.77 BACE1 (0.44) BACE1PTPN1ALDH1A1GLANPSR1
SCHEMBL24309470 0.76 BACE1 (0.42) BACE1PTPN1GLANPSR1
SCHEMBL1403061 0.76 BACE1 (0.42) BACE1PTPN1ALDH1A1GLANPSR1
SCHEMBL20471518 0.76 BACE1 (0.37) BACE1PTPN1ALDH1A1L3MBTL1
SCHEMBL20471519 0.76 BACE1 (0.37) BACE1PTPN1ALDH1A1L3MBTL1
SCHEMBL21996563 0.76 BACE1 (0.40) BACE1PTPN1ALDH1A1POLBTSHR
SCHEMBL8323836 0.74 BACE1 (0.65) BACE1ALDH1A1NPSR1L3MBTL1
SCHEMBL20351497 0.74 BACE1 (0.41) BACE1ALDH1A1GLANPSR1POLB
SCHEMBL7993286 0.74 BACE1 (0.41) BACE1GLANPSR1GAA

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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H BACE1 3555/4885PTPN1 1210/4885ALDH1A1 557/4885

“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.