SCHEMBL312767

SCHEMBL312767

C=C(CC)C(=O)c1ccc(OCC(=O)NCCCCNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 15/20 0.60
GSTA1 P08263 9/20 0.60
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.54
ABCC3 O15438 1/20 0.54
PLIN1 O60240 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
HSPD1 P10809 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
MAP2K6 P52564 1/20 0.54
HSPE1 P61604 1/20 0.54
GSTO1 P78417 1/20 0.54
PLIN5 Q00G26 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL1523469 0.81 GSTP1 (0.64) GSTP1GSTA1MEN1LMNAKMT2A
SCHEMBL313019 0.81 GSTP1 (0.67) GSTP1GSTA1MEN1LMNAKMT2A
SCHEMBL1524793 0.80 GSTP1 (0.63) GSTP1GSTA1MEN1LMNAKMT2A
SCHEMBL313295 0.80 GSTP1 (0.63) GSTP1GSTA1MEN1LMNAKMT2A
SCHEMBL17128748 0.79 GSTP1 (0.67) GSTP1GSTA1MEN1LMNAKMT2A
SCHEMBL17104724 0.77 GSTP1 (0.67) GSTP1GSTA1MEN1LMNAKMT2A
SCHEMBL19362599 0.77 GSTP1 (0.55) GSTP1GSTA1MEN1LMNAKMT2A
SCHEMBL10001140 0.76 GSTP1 (0.57) GSTP1GSTA1MEN1LMNAKMT2A
SCHEMBL9717560 0.76 GSTP1 (0.80) GSTP1GSTA1MEN1LMNAKMT2A
SCHEMBL15848176 0.75 GSTP1 (0.58) GSTP1GSTA1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US claimed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US claimed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 GSTP1 33/4885GSTA1 78/4885MEN1 3297/4885

“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.