SCHEMBL21707985

SCHEMBL21707985

CC(C)OC(=O)c1cc(OC(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PDK1 Q15118 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42

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
SCHEMBL3720798 0.88 TDP1 (0.58) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL20589790 0.88 CRHBP (0.49) CRHBPCRHR2ALDH1A1MAPTNPC1
SCHEMBL6164746 0.85 ALDH1A1 (0.63) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL28436639 0.82 SMN1; SMN2 (0.60) CRHBPCRHR2ALDH1A1TDP1MAPT
SCHEMBL10784652 0.81 TDP1 (0.57) CRHBPCRHR2ALDH1A1TDP1MAPT
SCHEMBL10789567 0.81 TDP1 (0.52) CRHBPCRHR2ALDH1A1TDP1MAPT
SCHEMBL10784983 0.79 TDP1 (0.78) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL9940716 0.79 ALDH1A1 (0.51) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL10788540 0.78 TDP1 (0.50) CRHBPCRHR2ALDH1A1TDP1MAPT
SCHEMBL25590217 0.78 GAA (0.64) CRHBPCRHR2ALDH1A1MAPTNPC1

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-20240360085-A1 Glucose Uptake Inhibitors KADMON CORPORATION, LLC (US) 2024-10-31 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-20220363648-A1 Glucose Uptake Inhibitors KADMON CORPORATION, LLC 2022-11-17 US disclosed
US-11071735-B2 Treatment of inflammatory conditions and autoimmune diseases with glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2021-07-27 US disclosed
US-20200046702-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS KADMON CORPORATION, LLC 2020-02-13 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 (5 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-12030857-B2 Glucose uptake inhibitors SLC2A1, SLC2A4, SLC2A2 CRHBP 3445/4885CRHR2 4119/4885ALDH1A1 1422/4885
US-20220363648-A1 Glucose Uptake Inhibitors SLC2A1, SLC2A4, SLC2A2 CRHBP 3445/4885CRHR2 4119/4885ALDH1A1 1422/4885
US-11071735-B2 Treatment of inflammatory conditions and autoimmune diseases with glucose uptake inhibitors SLC2A3, SLC2A4, SLC2A1 CRHBP 1607/4885CRHR2 1852/4885ALDH1A1 1987/4885
US-20200046702-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS SLC2A3, SLC2A4, SLC2A1 CRHBP 1607/4885CRHR2 1852/4885ALDH1A1 1987/4885
US-20240360085-A1 Glucose Uptake Inhibitors SLC2A3, SLC2A1, SLC2A4 CRHBP 3374/4885CRHR2 4110/4885ALDH1A1 1565/4885

“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.