SCHEMBL526220

SCHEMBL526220

COC(=O)CCC(CC(=O)OC)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.49
TSHR P16473 4/20 0.48
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CA9 Q16790 2/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA7 P43166 1/20 0.33

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
SCHEMBL16388417 0.89 TSHR (0.55) SLC1A1TSHRCA1CA2KMT2A
SCHEMBL16087778 0.88 FOLH1 (0.45) SLC1A1TSHRCA1CA2KMT2A
SCHEMBL8049313 0.86 CA1 (0.39) SLC1A1TSHRCA1CA2KMT2A
SCHEMBL3237660 0.84 KMT2A (0.48) SLC1A1TSHRCA1CA2KMT2A
SCHEMBL6363454 0.83 CA1 (0.42) SLC1A1TSHRCA1CA2KMT2A
SCHEMBL9509840 0.83 CA1 (0.62) SLC1A1TSHRCA1CA2KMT2A
SCHEMBL18264428 0.82 TSHR (0.52) SLC1A1TSHRCA1CA2
SCHEMBL579709 0.82 CA1 (0.50) SLC1A1TSHRCA1CA2KMT2A
SCHEMBL9814818 0.82 SLC1A1 (0.47) SLC1A1TSHRCA1CA2KMT2A
SCHEMBL20464696 0.82 SLC1A1 (0.47) SLC1A1TSHRCA1CA2KMT2A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4125556-A Synthesis of 11-deoxyprostaglandins THE DOW CHEMICAL COMPANY (US) 1978-11-14 US claimed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-9550745-B2 Method for preparing 4-aminobut-2-enolides BAYER CROPSCIENCE AG (DE) 2017-01-24 US disclosed
EP-2744499-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-28 EP disclosed
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
US-9062070-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-8846746-B2 Pyrazole compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-09-30 US disclosed
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
EP-2744499-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-06-25 EP disclosed
EP-2621545-A1 APOPTOSIS IMAGING AGENTS BASED ON LANTIBIOTIC PEPTIDES GE Healthcare UK Limited (GB) 2013-08-07 EP disclosed
WO-2007049061-A2 CONJUGATES OF SEMAPHORIN PEPTIDES AS IMAGING AGENTS FOR CANCER GE HEALTHCARE LIMITED (GB) 2007-05-03 WO disclosed
CN-1901894-A Inhibitor imaging agents GE HEALTHCARE LTD (GB) 2007-01-24 CN disclosed
EP-1682113-A1 INHIBITOR IMAGING AGENTS GE Healthcare Limited (GB) 2006-07-26 EP disclosed
WO-2005049005-A1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2005-06-02 WO disclosed
US-4532081-A 2-(6'-cyano-2'-hexynyl)-2-(b,b,b -trichlorocarboethoxy)-3-carbomethoxy cyclopentanone THE DOW CHEMICAL COMPANY (US) 1985-07-30 US disclosed
US-4447636-A TRANS-2-B,B,B-TRICHLOROCARBOETHOXY-3 -CARBOMETHOXYCYCLOPENTANONE INTERMEDIATE THE DOW CHEMICAL COMPANY (US) 1984-05-08 US disclosed
US-4146553-A Intermediates for synthesizing 11-deoxyprostaglandins THE DOW CHEMICAL COMPANY (US) 1979-03-27 US disclosed
US-4146553-A Intermediates for synthesizing 11-deoxyprostaglandins THE DOW CHEMICAL COMPANY (US) 1979-03-27 US disclosed
US-4125556-A Synthesis of 11-deoxyprostaglandins THE DOW CHEMICAL COMPANY (US) 1978-11-14 US disclosed
US-4125556-A Synthesis of 11-deoxyprostaglandins THE DOW CHEMICAL COMPANY (US) 1978-11-14 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 (3 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-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 SLC1A1 2734/4885TSHR 2282/4885CA1 4140/4885
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 SLC1A1 322/4885TSHR 1586/4885CA1 2910/4885
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 SLC1A1 209/4885TSHR 2374/4885CA1 3848/4885

“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.