SCHEMBL9129381

SCHEMBL9129381

CCCC(=O)OC(C)OC(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.43
TSHR P16473 2/20 0.41
COMT P21964 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
PRKCA P17252 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL15635118 0.87 ALDH1A1 (0.52) ALDH1A1LMNATSHRCOMTMAPT
SCHEMBL25380051 0.85 LMNA (0.65) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL7650970 0.83 LMNA (0.55) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL3834688 0.83 LMNA (0.61) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL26669062 0.83 MEN1 (0.35) ALDH1A1LMNAALOX15
SCHEMBL3835751 0.81 LMNA (0.64) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL13077107 0.81 ALDH1A1 (0.46) ALDH1A1LMNATSHRCOMTMAPT
SCHEMBL22299925 0.79 TSHR (0.38) ALDH1A1TSHRTP53
SCHEMBL23407291 0.78 ALDH1A1 (0.48) ALDH1A1LMNATSHRCOMTMAPT
SCHEMBL8847407 0.78 ALDH1A1 (0.43) ALDH1A1LMNACOMTMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220056033-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. 2022-02-24 US disclosed
US-11124515-B2 Adenosine receptor antagonists and uses thereof TEON THERAPEUTICS, INC. (US) 2021-09-21 US disclosed
US-20210163483-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. 2021-06-03 US disclosed
WO-2019173380-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2019-09-12 WO disclosed
US-5401868-A Sulfiding and esterification to form chemical intermediates LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUCTIONSAKTIESELSKAB) (DK) 1995-03-28 US disclosed
EP-0541550-B1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE LEO PHARM PROD LTD (DK) 1994-09-07 EP disclosed
EP-0541550-A1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE. LEO PHARM PROD LTD (DK) 1993-05-19 EP disclosed
WO-1991010639-A1 NEW INTERMEDIATES, THEIR PRODUCTION AND USE Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1991-07-25 WO 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-20210163483-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF ADORA2A, ADORA2B, ADORA3 ALDH1A1 817/4885LMNA 2520/4885TSHR 209/4885
US-20220056033-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF ADORA2A, ADORA2B, ADORA3 ALDH1A1 817/4885LMNA 2520/4885TSHR 209/4885
US-11124515-B2 Adenosine receptor antagonists and uses thereof ADORA2B, ADORA2A, ADORA3 ALDH1A1 634/4885LMNA 1901/4885TSHR 218/4885

“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.