SCHEMBL6572035

SCHEMBL6572035

CCOC(=O)[C@H]1OC(c2ccccc2)O[C@@H]1C(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 1/20 0.47
CAPN1 P07384 1/20 0.46
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MDM2 Q00987 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2749958 1.00 TSHR (0.73) TSHRCYP2C19MEN1CYP1A2CYP2D6
SCHEMBL7939260 0.87 TSHR (0.55) TSHRMEN1KMT2ACAPN1MAPT
SCHEMBL7950760 0.87 TSHR (0.55) TSHRMEN1KMT2ACAPN1MAPT
SCHEMBL7709533 0.85 TSHR (0.54) TSHRKMT2ACAPN1MAPTKDM4E
SCHEMBL111475 0.85 TSHR (1.00) TSHRCYP2C19MEN1CYP1A2CYP2D6
SCHEMBL8746347 0.85 TSHR (1.00) TSHRCYP2C19MEN1CYP1A2CYP2D6
SCHEMBL3201023 0.85 TSHR (1.00) TSHRCYP2C19MEN1CYP1A2CYP2D6
SCHEMBL8875725 0.85 TSHR (1.00) TSHRCYP2C19MEN1CYP1A2CYP2D6
SCHEMBL14393160 0.85 TSHR (1.00) TSHRCYP2C19MEN1CYP1A2CYP2D6
SCHEMBL14365934 0.85 TSHR (1.00) TSHRCYP2C19MEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040073045-A1 Pyrrolidine derivative and process for producing the same EISAI CO., LTD. (JP) 2004-04-15 US disclosed
EP-1375479-A9 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375465-A1 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-01-02 EP 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-20040073045-A1 Pyrrolidine derivative and process for producing the same DHPS, SQLE, FDFT1 TSHR 4497/4885CYP2C19 1775/4885MEN1 3444/4885

“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.