SCHEMBL3655402

SCHEMBL3655402

O=C(OCCCCO)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 1/20 0.53
BCHE P06276 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
PARP1 P09874 1/20 0.46
SLC7A5 Q01650 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4592142 0.98 TDP1 (0.53) TDP1RAB9ABCHEL3MBTL1ALDH1A1
SCHEMBL811440 0.94 TDP1 (0.61) TDP1RAB9ABCHEL3MBTL1ALDH1A1
SCHEMBL810857 0.92 TDP1 (0.59) TDP1RAB9ABCHEL3MBTL1ALDH1A1
SCHEMBL1104296 0.89 TDP1 (0.63) TDP1RAB9ACYP4F2CYP4A11SLC7A5
SCHEMBL21143362 0.87 TDP1 (0.61) TDP1RAB9AALDH1A1CYP4F2CYP4A11
SCHEMBL3877623 0.87 TDP1 (0.61) TDP1RAB9AALDH1A1CYP4F2CYP4A11
SCHEMBL810821 0.87 L3MBTL1 (0.57) TDP1RAB9ABCHEL3MBTL1ALDH1A1
SCHEMBL6057136 0.86 LMNA (0.56) TDP1RAB9AALDH1A1ESR1
SCHEMBL28807886 0.85 LMNA (0.58) TDP1RAB9AALDH1A1ESR1
SCHEMBL28437780 0.85 LMNA (0.58) TDP1RAB9AALDH1A1ESR1

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 37 patents — showing the first 20. 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-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
CN-113061089-A Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-07-02 CN disclosed
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2021-05-06 US disclosed
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2021-05-06 US disclosed
CN-108283000-B Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-04-13 CN disclosed
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2021-03-09 US disclosed
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2021-03-09 US disclosed
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-11-26 US disclosed
EP-3353145-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW Laboratories Inc. (KY) 2018-08-01 EP disclosed
CN-108283000-A PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF 凯瑞康宁生物工程(武汉)有限公司 2018-07-13 CN disclosed
WO-2017049470-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (CN) 2017-03-30 WO disclosed
WO-2017050259-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2017-03-30 WO disclosed
WO-2017049470-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (CN) 2017-03-30 WO disclosed
WO-2017050259-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2017-03-30 WO disclosed
US-20100312003-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES LONZA LTD. (CH) 2010-12-09 US disclosed
EP-2200966-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES LONZA LTD. (CH) 2010-06-30 EP disclosed
WO-2009046992-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES LONZA LTD (CH) 2009-04-16 WO disclosed
EP-2048129-A1 Method for the preparation of organic nitrates LONZA AG (CH) 2009-04-15 EP 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-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB2, GABRB3, GABRB1 TDP1 2906/4885RAB9A 2574/4885BCHE 110/4885
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 TDP1 2906/4885RAB9A 2574/4885BCHE 110/4885
US-20100312003-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES NOS2, NOS1, NOS3 TDP1 777/4885RAB9A 4686/4885BCHE 849/4885
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 TDP1 2906/4885RAB9A 2574/4885BCHE 110/4885

“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.