SCHEMBL21074172

SCHEMBL21074172

CC(C)(C)OC(=O)CNCC(=O)OCCCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LTA4H P09960 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SYK P43405 1/20 0.41
CYP3A4 P08684 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC3 O15438 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
RARG P13631 1/20 0.41

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
SCHEMBL2141676 0.90 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL3421550 0.89 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TDP1MEN1
SCHEMBL18686234 0.88 SYK (0.52) ALDH1A1MAPK1L3MBTL1TDP1MEN1
SCHEMBL25215663 0.88 HTT (0.46) ALDH1A1MAPK1L3MBTL1TDP1LTA4H
SCHEMBL18686203 0.84 SYK (0.48) L3MBTL1TDP1MEN1KMT2ASYK
SCHEMBL12990128 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL22481266 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL557536 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1LTA4HMEN1
SCHEMBL18668821 0.82 CYP1A2 (0.49) ALDH1A1MAPK1L3MBTL1TDP1MEN1
SCHEMBL15561400 0.81 SYK (0.48) L3MBTL1MEN1KMT2ASYK

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
EP-4119539-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2023-01-18 EP disclosed
EP-3353145-B1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPHARMA LTD (KY) 2022-09-28 EP disclosed
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2021-05-06 US disclosed
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2021-03-09 US disclosed
US-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-11-26 US disclosed
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-11-26 US disclosed
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2020-09-15 US disclosed
US-20200223783-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-07-16 US disclosed
US-10640451-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2020-05-05 US disclosed
US-20200039917-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2020-02-06 US disclosed
US-10457627-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2019-10-29 US disclosed
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2019-07-18 US disclosed
US-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2019-06-27 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 (11 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-10640451-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885MAPK1 4712/4885L3MBTL1 1789/4885
US-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 ALDH1A1 869/4885MAPK1 4799/4885L3MBTL1 1948/4885
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB2, GABRB3, GABRB1 ALDH1A1 869/4885MAPK1 4799/4885L3MBTL1 1948/4885
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 ALDH1A1 869/4885MAPK1 4799/4885L3MBTL1 1948/4885
US-10457627-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885MAPK1 4712/4885L3MBTL1 1789/4885
US-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885MAPK1 4712/4885L3MBTL1 1789/4885
US-20200039917-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885MAPK1 4712/4885L3MBTL1 1789/4885
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885MAPK1 4712/4885L3MBTL1 1789/4885
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 ALDH1A1 869/4885MAPK1 4799/4885L3MBTL1 1948/4885
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885MAPK1 4712/4885L3MBTL1 1789/4885
US-20200223783-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885MAPK1 4712/4885L3MBTL1 1789/4885

“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.