SCHEMBL1028591

SCHEMBL1028591

C=C(C)C(=O)OCCOC(=O)CP(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1036996 0.85 THRB (0.37) THRBPOLBAPEX1HTTTDP1
SCHEMBL1035772 0.82 ALDH1A1 (0.37) THRBTDP1TSHRALDH1A1KDM4E
SCHEMBL1028638 0.82 THRB (0.40) THRBTSHRALDH1A1KDM4EL3MBTL1
SCHEMBL1038469 0.82 CRHR1 (0.34) POLBTDP1TSHRKDM4EL3MBTL1
SCHEMBL2886656 0.82 CRHR1 (0.34) POLBTDP1TSHRKDM4EL3MBTL1
SCHEMBL1039014 0.81 NLRP3 (0.44) TDP1TSHRALDH1A1KDM4EL3MBTL1
SCHEMBL1038151 0.81 HTR1A (0.35) KDM4EL3MBTL1MEN1LMNAHPGD
SCHEMBL1037680 0.81 HTR1A (0.35) KDM4EL3MBTL1MEN1LMNAHPGD
SCHEMBL1034149 0.81 HTR1A (0.35) KDM4EL3MBTL1MEN1LMNAHPGD
SCHEMBL1033698 0.80 TAS1R3 (0.39) HTTTDP1MEN1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451847-B1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES IGM GROUP B V (NL) 2021-11-24 EP disclosed
US-9120900-B2 Polymer-bound bisacylphosphine oxides BASF SE (DE) 2015-09-01 US disclosed
US-20150025169-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2015-01-22 US disclosed
US-8883872-B2 Polymer-bound bisacylphosphine oxides BASF SE (DE) 2014-11-11 US disclosed
US-20120142805-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2012-06-07 US disclosed
EP-2451847-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2012-05-16 EP disclosed
WO-2011003772-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES BASF SE (DE) 2011-01-13 WO 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-20120142805-A1 POLYMER-BOUND BISACYLPHOSPHINE OXIDES PHOSPHO1, PARG, PEBP1 THRB 4336/4885POLB 805/4885APEX1 400/4885

“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.