SCHEMBL18668799

SCHEMBL18668799

CCc1ccc(C(=O)OCCCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ ESR1 P03372 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NR1H2 P55055 1/20 0.56
▸ RNASEL Q05823 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ CYP4A11 Q02928 2/20 0.54
▸ CYP4F2 P78329 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ PDE4D Q08499 1/20 0.54

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
SCHEMBL13291883 0.95 TSHR (0.51) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL128506 0.89 TDP1 (0.67) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL12092865 0.88 ALDH1A1 (0.71) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL27484346 0.88 ESR1 (0.72) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL15315380 0.88 ESR1 (0.72) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL10174562 0.87 TSHR (0.55) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL31561685 0.87 TDP1 (0.64) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL8840754 0.87 TDP1 (0.64) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL21143393 0.87 TDP1 (0.64) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL7529412 0.87 TDP1 (0.64) TSHRLMNACYP1A2CYP2C19ESR1

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 32 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
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-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
US-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2019-06-27 — — US disclosed
EP-3353145-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW Laboratories Inc. (KY) 2018-08-01 — — EP 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
WO-2017049470-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (CN) 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 (6 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 TSHR 2992/4885LMNA 2870/4885CYP1A2 361/4885
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 TSHR 2992/4885LMNA 2870/4885CYP1A2 361/4885
US-10457627-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 TSHR 3228/4885LMNA 3582/4885CYP1A2 508/4885
US-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 TSHR 3228/4885LMNA 3582/4885CYP1A2 508/4885
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 TSHR 2992/4885LMNA 2870/4885CYP1A2 361/4885
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 TSHR 3228/4885LMNA 3582/4885CYP1A2 508/4885

“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.

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