SCHEMBL20754352

SCHEMBL20754352

CC1=C(C)C(=O)C(CCCO)=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
ALOX5 P09917 10/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAOA P21397 1/20 0.34
TBXA2R P21731 1/20 0.34
MAPK1 P28482 1/20 0.34
AVPR2 P30518 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
PDE3A Q14432 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SLC29A1 Q99808 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 2/20 0.33

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
SCHEMBL9629083 0.79 STAT3 (0.36) STAT3MAPTHTTTP53SMN1; SMN2
SCHEMBL15214280 0.79 PTPN1 (0.54) STAT3ALOX5MAPTCYP2D6CYP2C9
SCHEMBL7053777 0.79 PTPN1 (0.54) STAT3ALOX5MAPTCYP2D6CYP2C9
SCHEMBL13174362 0.78 STAT3 (0.47) STAT3ALOX5MAPTHTTPTPN1
SCHEMBL5080244 0.78 STAT3 (0.47) STAT3ALOX5MAPTHTTPTPN1
SCHEMBL18104368 0.78 STAT3 (0.47) STAT3ALOX5MAPTHTTPTPN1
SCHEMBL8140843 0.76 STAT3 (0.32) STAT3MAPTHTTTP53SMN1; SMN2
SCHEMBL20754119 0.75 STAT3 (0.34) STAT3
SCHEMBL13738670 0.74 CA2 (0.33) STAT3MAPTHTTPTPN1TP53
SCHEMBL8140849 0.74 TYR (0.32) STAT3MAPTHTTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives XWPharma Ltd. (KY) 2023-07-04 US disclosed
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives XWPharma Ltd. (KY) 2023-07-04 US disclosed
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives XWPharma Ltd. (KY) 2023-07-04 US disclosed
CN-115109116-A Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2022-09-27 CN disclosed
CN-111278807-B Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2022-07-22 CN disclosed
EP-3668837-B1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPHARMA LTD (KY) 2022-07-06 EP disclosed
EP-3668837-B1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPHARMA LTD (KY) 2022-07-06 EP disclosed
US-20210047367-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPharma Ltd. (KY) 2021-02-18 US disclosed
US-20210047367-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPharma Ltd. (KY) 2021-02-18 US disclosed
US-10858394-B2 Preparation and uses of reactive oxygen species scavenger derivatives XW LABORATORIES INC. (KY) 2020-12-08 US disclosed
US-10858394-B2 Preparation and uses of reactive oxygen species scavenger derivatives XW LABORATORIES INC. (KY) 2020-12-08 US disclosed
CN-111278807-A Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2020-06-12 CN disclosed
US-20200181194-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPharma Ltd. (KY) 2020-06-11 US disclosed
US-20200181194-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPharma Ltd. (KY) 2020-06-11 US disclosed
WO-2019033330-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XW LABORATORIES, INC. (CN) 2019-02-21 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 (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-20200181194-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES AIFM2, GPX1, GPX4 STAT3 464/4885ALOX5 161/4885MAPT 3745/4885
US-20210047367-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES AIFM2, GPX1, GPX4 STAT3 464/4885ALOX5 161/4885MAPT 3745/4885
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives AIFM2, GPX1, GPX4 STAT3 464/4885ALOX5 161/4885MAPT 3745/4885
US-10858394-B2 Preparation and uses of reactive oxygen species scavenger derivatives AIFM2, GPX1, GPX4 STAT3 464/4885ALOX5 161/4885MAPT 3745/4885

“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.