SCHEMBL7595572

SCHEMBL7595572

COC(=O)COc1ccc(C2(c3ccc(OCC(=O)OC)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.58
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.46
PTGS2 P35354 1/20 0.46
PPARD Q03181 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
FAAH O00519 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 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
SCHEMBL17364455 0.82 ALDH1A1 (0.50) PDK2POLBMEN1KMT2AALDH1A1
SCHEMBL27878252 0.81 ESR1 (0.41) PDK2POLBMEN1KMT2AALDH1A1
SCHEMBL16425349 0.81 MAPT (0.41) PDK2POLBMEN1KMT2AALDH1A1
SCHEMBL6577530 0.79 GPR174 (0.47) PDK2POLBMEN1KMT2ATSHR
SCHEMBL7595576 0.79 PDK2 (0.51) PDK2POLBMEN1KMT2APPARD
SCHEMBL13962705 0.79 POLB (0.40) PDK2POLBMEN1KMT2ATSHR
SCHEMBL13962697 0.79 POLB (0.40) PDK2POLBMEN1KMT2ATSHR
SCHEMBL16425350 0.79 MEN1 (0.42) PDK2POLBMEN1KMT2ASMN1; SMN2
SCHEMBL534499 0.79 MAPT (0.39) PDK2POLBMEN1KMT2AALDH1A1
SCHEMBL2116437 0.78 PTGS2 (0.66) POLBMEN1KMT2AL3MBTL1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684907-B1 RESIN, OPTICAL MATERIAL, AND OPTICAL DEVICE MITSUI CHEMICALS INC (JP) 2020-02-26 EP disclosed
US-9221949-B2 Resin, optical material, and optical device MITSUI CHEMICALS, INC. (JP) 2015-12-29 US disclosed
US-9221949-B2 Resin, optical material, and optical device MITSUI CHEMICALS, INC. (JP) 2015-12-29 US disclosed
EP-2684907-A1 RESIN, OPTICAL MATERIAL, AND OPTICAL DEVICE Mitsui Chemicals, Inc. (JP) 2014-01-15 EP disclosed
US-20020052354-A1 Paramagnetic DOTA derivatives, pharmaceutical agents that contain the latter, process for their production, and their use for MR imaging of necrosis and infarction SCHERING AG 2002-05-02 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-20020052354-A1 Paramagnetic DOTA derivatives, pharmaceutical agents that contain the latter, process for their production, and their use for MR imaging of necrosis and infarction TNNI3, NPR1, LPXN PDK2 653/4885POLB 2148/4885MEN1 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.