SCHEMBL16352174

SCHEMBL16352174

CCOC(C)CCP(=O)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.48
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
UGT2B7 P16662 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
FPR2 P25090 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
SCHEMBL5918893 0.81 PPARD (0.50) PPARDTSHRTP53TDP1UGT2B7
SCHEMBL10590815 0.80 PPARD (0.54) PPARDTSHRTP53TDP1UGT2B7
SCHEMBL16062694 0.80 PPARD (0.54) PPARDTSHRTP53TDP1UGT2B7
SCHEMBL3313657 0.74 PPARD (0.70) PPARDTSHRTP53TDP1MEN1
SCHEMBL559843 0.73 PPARD (0.47) PPARDTSHRTP53TDP1UGT2B7
SCHEMBL5329595 0.72 PPARD (0.50) PPARDTSHRTP53TDP1UGT2B7
SCHEMBL28029802 0.72 TSHR (0.41) PPARDTSHRTP53TDP1MEN1
SCHEMBL10037944 0.72 PPARD (0.50) PPARDTSHRTP53TDP1UGT2B7
SCHEMBL508153 0.71 TSHR (0.50) PPARDTSHRTP53TDP1LMNA
Water SCHEMBL6830152 0.71 PPARD (0.48) PPARDTSHRTP53TDP1UGT2B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 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-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE DCXR, G6PD, GRHPR PPARD 2765/4885TSHR 1505/4885TP53 4649/4885

“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.