SCHEMBL7595576

SCHEMBL7595576

COC(=O)COc1ccccc1C1(c2ccccc2OCC(=O)OC)c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.51
LMNA P02545 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
AR P10275 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.42
CYP1A2 P05177 1/20 0.42
KCNN4 O15554 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
PPARD Q03181 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10506317 0.80 SMN1; SMN2 (0.60) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL7595572 0.79 PDK2 (0.58) PDK2LMNAALDH1A1MEN1KMT2A
SCHEMBL14327977 0.76 L3MBTL1 (0.64) LMNAARALDH1A1MEN1KMT2A
SCHEMBL15391794 0.75 SMN1; SMN2 (0.70) LMNAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4762266 0.75 KDM4E (0.37) PDK2LMNAALDH1A1MEN1KMT2A
SCHEMBL3783343 0.74 ALDH1A1 (0.58) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL2904007 0.74 NOTUM (0.61) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL5317080 0.74 L3MBTL1 (0.68) LMNAALDH1A1MAPTMCL1CYP1A2
SCHEMBL6243487 0.74 GAA (0.57) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL14191206 0.73 CA1 (0.50) PDK2LMNAALDH1A1MEN1KMT2A

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-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 653/4885LMNA 14/4885DDB1 4178/4885

“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.