SCHEMBL21343095

SCHEMBL21343095

O=C(OCOCCl)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL16573650 0.88 ALDH1A1 (0.47) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL1243731 0.84 ALDH1A1 (0.51) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL10099631 0.83 ALDH1A1 (0.50) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL5494998 0.81 ALDH1A1 (0.49) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL12644384 0.81 ALDH1A1 (0.54) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL7709824 0.78 ALDH1A1 (0.44) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL16573651 0.78 ALDH1A1 (0.41) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL7516017 0.77
SCHEMBL11374216 0.76 ALDH1A1 (0.49) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL1966553 0.76 ALDH1A1 (0.45) ALDH1A1CES2CES1ADRB2ADRB1

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
EP-3762386-B1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS INC (US) 2024-01-24 EP disclosed
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
US-20210040097-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. 2021-02-11 US disclosed
WO-2019173380-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2019-09-12 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 (4 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 817/4885CES2 967/4885CES1 1176/4885
US-20220056033-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF ADORA2A, ADORA2B, ADORA3 ALDH1A1 817/4885CES2 967/4885CES1 1176/4885
US-11124515-B2 Adenosine receptor antagonists and uses thereof ADORA2B, ADORA2A, ADORA3 ALDH1A1 634/4885CES2 1470/4885CES1 1052/4885
US-20210040097-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF ADORA2A, ADORA2B, ADORA3 ALDH1A1 817/4885CES2 967/4885CES1 1176/4885

“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.