SCHEMBL18686291

SCHEMBL18686291

O=C(CNC(=O)OC1CCCCC1)OCCCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
NAAA Q02083 1/20 0.43
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
EPHX2 P34913 2/20 0.42
EPHX1 P07099 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
LMNA P02545 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
BCHE P06276 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
PREP P48147 2/20 0.39

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
SCHEMBL18686104 0.89 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL21169166 0.81 EPHX1 (0.40) ALDH1A1SMN1; SMN2KDM4EEPHX1HDAC3
SCHEMBL19217969 0.79 ALDH1A1 (0.63) ALDH1A1KMT2ASMN1; SMN2MEN1EPHX1
SCHEMBL18686103 0.78 EPHX1 (0.49) ALDH1A1NAAAKMT2ASMN1; SMN2MEN1
SCHEMBL21162720 0.77 EPHX1 (0.39) ALDH1A1KDM4EEPHX1LMNAFAAH
SCHEMBL26751106 0.76 BCHE (0.46) ALDH1A1NAAAKMT2ASMN1; SMN2KDM4E
SCHEMBL27630590 0.75 HDAC3 (0.62) ALDH1A1KMT2ASMN1; SMN2EPHX1HDAC3
SCHEMBL18686292 0.73 REN (0.35) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL27652150 0.73 HDAC3 (0.60) ALDH1A1KMT2ASMN1; SMN2EPHX1HDAC3
SCHEMBL29523808 0.73 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2019-06-27 US disclosed
WO-2017050259-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2017-03-30 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 (10 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 736/4885NAAA 431/4885KMT2A 2813/4885
US-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 ALDH1A1 869/4885NAAA 369/4885KMT2A 3050/4885
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB2, GABRB3, GABRB1 ALDH1A1 869/4885NAAA 369/4885KMT2A 3050/4885
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 ALDH1A1 869/4885NAAA 369/4885KMT2A 3050/4885
US-10457627-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885NAAA 431/4885KMT2A 2813/4885
US-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885NAAA 431/4885KMT2A 2813/4885
US-20200039917-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885NAAA 431/4885KMT2A 2813/4885
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885NAAA 431/4885KMT2A 2813/4885
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 ALDH1A1 869/4885NAAA 369/4885KMT2A 3050/4885
US-20200223783-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ALDH1A1 736/4885NAAA 431/4885KMT2A 2813/4885

“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.