SCHEMBL10001217

SCHEMBL10001217

C=C(CCC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 12/20 0.81
GSTA1 P08263 7/20 0.81
CYP2C9 P11712 2/20 0.81
ALDH1A1 P00352 2/20 0.81
NPSR1 Q6W5P4 2/20 0.81
MEN1 O00255 1/20 0.81
ABCC3 O15438 1/20 0.81
PLIN1 O60240 1/20 0.81
LMNA P02545 1/20 0.81
TP53 P04637 1/20 0.81
MAPT P10636 1/20 0.81
HSPD1 P10809 1/20 0.81
TSHR P16473 1/20 0.81
HTT P42858 1/20 0.81
RECQL P46063 1/20 0.81
MAP2K6 P52564 1/20 0.81
HSPE1 P61604 1/20 0.81
GSTO1 P78417 1/20 0.81
PLIN5 Q00G26 1/20 0.81
KMT2A Q03164 1/20 0.81

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
SCHEMBL11603228 0.91 GSTP1 (0.75) GSTP1GSTA1CYP2C9ALDH1A1NPSR1
Ethacrynic Acid SCHEMBL9108011 0.89 GSTP1 (1.00) GSTP1GSTA1CYP2C9ALDH1A1NPSR1
Ethacrynic Acid SCHEMBL29384243 0.89 GSTP1 (1.00) GSTP1GSTA1CYP2C9ALDH1A1NPSR1
Ethacrynic Acid SCHEMBL26353 0.89 GSTP1 (1.00) GSTP1GSTA1CYP2C9ALDH1A1NPSR1
Ethacrynic Acid SCHEMBL2482896 0.88 GSTP1 (0.97) GSTP1GSTA1CYP2C9ALDH1A1NPSR1
Ethacrynic Acid SCHEMBL3713733 0.88 GSTP1 (0.97) GSTP1GSTA1CYP2C9ALDH1A1NPSR1
Ethacrynic Acid SCHEMBL905726 0.88 GSTP1 (0.97) GSTP1GSTA1CYP2C9ALDH1A1NPSR1
SCHEMBL9717498 0.87 GSTP1 (0.62) GSTP1GSTA1CYP2C9ALDH1A1NPSR1
SCHEMBL22317249 0.83 GSTP1 (0.56) GSTP1GSTA1CYP2C9ALDH1A1NPSR1
SCHEMBL10833376 0.83 GSTP1 (0.75) GSTP1GSTA1CYP2C9ALDH1A1NPSR1

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
US-20200308162-A1 DRUGS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2020-10-01 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-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
US-4625047-A BRAIN OR SPINAL CORD TRAUMA TREATMENT MERCK & CO., INC. (US) 1986-11-25 US disclosed
US-4070539-A DIURETICS, SALURETICS MERCK & CO., INC. (US) 1978-01-24 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 (2 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-20200308162-A1 DRUGS AND COMPOSITIONS FOR OCULAR DELIVERY AGER, PDE6B, PTGER1 GSTP1 834/4885GSTA1 770/4885CYP2C9 593/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 GSTP1 33/4885GSTA1 78/4885CYP2C9 442/4885

“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.