SCHEMBL20754276

SCHEMBL20754276

COc1cc(CCC(=O)O)c(OC)c(C)c1C

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 7/20 0.65
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL11330327 0.83 IMPDH2 (0.60) IMPDH2NPSR1POLBMAPK1SMN1; SMN2
SCHEMBL20754232 0.83 IMPDH2 (0.50) IMPDH2MEN1KMT2A
SCHEMBL7827237 0.82 NPSR1 (0.55) IMPDH2NPSR1POLBFFAR1LMNA
SCHEMBL490437 0.79 CYP3A4 (0.56) IMPDH2NPSR1POLBMEN1KMT2A
SCHEMBL30871956 0.79 CYP3A4 (0.56) IMPDH2NPSR1POLBMEN1KMT2A
SCHEMBL490551 0.79 CYP1A2 (0.61) IMPDH2NPSR1POLBMAPK1SMN1; SMN2
SCHEMBL7813393 0.78 POLB (0.51) NPSR1POLB
SCHEMBL11331668 0.78 TAAR1 (0.59) IMPDH2NPSR1POLBFFAR1
SCHEMBL3675317 0.77 ALOX5 (0.51) IMPDH2NPSR1FFAR1MEN1KMT2A
SCHEMBL7523213 0.77 NPSR1 (0.55) IMPDH2NPSR1POLBFFAR1KMT2A

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 IMPDH2 1961/4885NPSR1 926/4885POLB 2848/4885
US-20210047367-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES AIFM2, GPX1, GPX4 IMPDH2 1961/4885NPSR1 926/4885POLB 2848/4885
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives AIFM2, GPX1, GPX4 IMPDH2 1961/4885NPSR1 926/4885POLB 2848/4885
US-10858394-B2 Preparation and uses of reactive oxygen species scavenger derivatives AIFM2, GPX1, GPX4 IMPDH2 1961/4885NPSR1 926/4885POLB 2848/4885

“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.