SCHEMBL9889273

SCHEMBL9889273

CCC(=O)OCCOCc1cn(CC)nn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.40
DGAT1 O75907 6/20 0.39
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALOX5 P09917 2/20 0.36
ALDH1A1 P00352 1/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
HIF1A Q16665 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NCF1 P14598 1/20 0.34

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
SCHEMBL15223884 0.86 DGAT1 (0.42) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL22803402 0.82 HSP90AB1 (0.40) HSP90AB1DGAT1ALOX5MMP2MMP9
SCHEMBL20694373 0.80 HSP90AB1 (0.41) HSP90AB1DGAT1ALOX5MMP2MMP9
SCHEMBL20257915 0.79 HSP90AB1 (0.40) HSP90AB1DGAT1NCF1
SCHEMBL12033272 0.78 DGAT1 (0.47) HSP90AB1DGAT1NCF1
SCHEMBL22803422 0.77 DGAT1 (0.41) HSP90AB1DGAT1MMP2MMP9MMP8
SCHEMBL19592509 0.76 DRD2 (0.43) ALOX5NCF1
SCHEMBL20694535 0.76 DGAT1 (0.40) HSP90AB1DGAT1MMP2MMP9MMP8
SCHEMBL20806032 0.75 P2RX7 (0.51) HSP90AB1
SCHEMBL16330577 0.74 DGAT1 (0.38) HSP90AB1DGAT1CYP1A2HPGDCYP2C19

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-9120900-B2 Polymer-bound bisacylphosphine oxides BASF SE (DE) 2015-09-01 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

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 HSP90AB1 4378/4885DGAT1 763/4885CYP1A2 4593/4885

“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.