SCHEMBL8506844

SCHEMBL8506844

C=C(CC)C(=O)c1ccc(OC(C)=O)c(Cl)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 14/20 0.67
▸ GSTA1 P08263 8/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ ABCC3 O15438 1/20 0.67
▸ PLIN1 O60240 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ HSPD1 P10809 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ RECQL P46063 1/20 0.67
▸ MAP2K6 P52564 1/20 0.67
▸ HSPE1 P61604 1/20 0.67
▸ GSTO1 P78417 1/20 0.67
▸ PLIN5 Q00G26 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ATM Q13315 1/20 0.67

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
SCHEMBL11356320 0.89 GSTP1 (0.56) GSTP1GSTA1MEN1ABCC3PLIN1
SCHEMBL8506841 0.86 GSTP1 (0.64) GSTP1GSTA1MEN1ABCC3PLIN1
SCHEMBL13284005 0.85 GSTP1 (0.70) GSTP1GSTA1MEN1ABCC3PLIN1
SCHEMBL20088748 0.84 GSTP1 (0.77) GSTP1GSTA1MEN1ABCC3PLIN1
SCHEMBL10014667 0.83 GSTP1 (0.80) GSTP1GSTA1MEN1ABCC3PLIN1
SCHEMBL11348841 0.81 GSTP1 (0.47) GSTP1GSTA1MEN1ABCC3PLIN1
SCHEMBL8986308 0.80 GSTP1 (0.71) GSTP1GSTA1MEN1ABCC3PLIN1
Ethacrynic Acid SCHEMBL26353 0.80 GSTP1 (1.00) GSTP1GSTA1MEN1ABCC3PLIN1
Ethacrynic Acid SCHEMBL9108011 0.80 GSTP1 (1.00) GSTP1GSTA1MEN1ABCC3PLIN1
SCHEMBL3713736 0.80 GSTP1 (0.80) GSTP1GSTA1MEN1ABCC3PLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047608-A1 Method of Treatment and Pharmaceutical Composition for Morning Hypertension Dharma Laboratories LLC (US) 2022-02-17 — — US disclosed
EP-3318253-B1 COMPOSITIONS COMPRISING WNT INHIBITORS FOR TREATING CANCER SCHMIDT WOLF INGO (DE) 2020-04-22 — — EP disclosed
US-10259770-B2 Process for the preparation of ethacrynic acid STRIDES SHASUN LIMITED (IN) 2019-04-16 — — US disclosed
US-20180111890-A1 Process for the Preparation of Ethacrynic Acid STRIDES SHASUN LIMITED (IN) 2018-04-26 — — US disclosed
EP-2637653-B1 COMPOSITIONS COMPRISING ETHACRYNIC ACID AND LENALIDOMIDE AND/OR THALIDOMIDE FOR USE IN TREATING MYELOMA SCHMIDT-WOLF INGO (DE) 2018-01-10 — — EP disclosed
EP-2379068-B1 ETHACRYNIC ACID TO TREAT MYELOMA, LYMPHOMA AND LEUKEMIA SCHMIDT-WOLF INGO (DE) 2015-10-28 — — EP disclosed
US-5863948-A Increasing aqueous humor outflow MASSACHUSETTS EYE AND EAR INFIRMARY (US) 1999-01-26 — — US disclosed
WO-1994022446-A1 PHARMACEUTICAL COMPOSITION FOR THE PREVENTION OF NEURONAL CELL DEATH NOVO NORDISK A/S (DK) 1994-10-13 — — WO disclosed
EP-0228415-B1 INCREASING AQUEOUS HUMOR OUTFLOW MASSACHUSETTS EYE & EAR INFIRMARY (US) 1993-05-26 — — EP disclosed
US-4757089-A Increasing aqueous humor outflow MASSACHUSETTS EYE AND EAR INFIRMARY (US) 1988-07-12 — — US disclosed
US-4261985-A REDUCED EXCRETION OF POTASSIUM IONS BY INCLUSION OF ALDOSTERONE ANTAGONIST CIBA-GEIGY CORPORATION (US) 1981-04-14 — — US disclosed
US-4022893-A Treatment for hypertension MOYER JOHN H 1977-05-10 — — US disclosed
US-3959253-A β-D-glucosyluronic acid derivatives MERCK & CO., INC. (US) 1976-05-25 — — 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 (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-20180111890-A1 Process for the Preparation of Ethacrynic Acid APEH, DDC, ACMSD GSTP1 1737/4885GSTA1 1790/4885MEN1 2750/4885
US-10259770-B2 Process for the preparation of ethacrynic acid APEH, DDC, ACMSD GSTP1 1799/4885GSTA1 1824/4885MEN1 2742/4885

“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.

Send feedback