SCHEMBL19996574

SCHEMBL19996574

O=C(CCCOCC(O)CSCc1ccccc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.42
PPARG P37231 1/20 0.42
CDC25B P30305 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LPAR1 Q92633 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL23964465 0.90 KMT2A (0.42) CDC25BADRB2ADRB1ADRB3TDP1
SCHEMBL19996567 0.87 ALDH1A1 (0.41) PPARAPPARGCDC25BADRB2ADRB1
SCHEMBL19996583 0.85 CA1 (0.51) CDC25BADRB2ADRB1ADRB3ALDH1A1
SCHEMBL24180469 0.85 CA1 (0.51) CDC25BADRB2ADRB1ADRB3ALDH1A1
SCHEMBL19996576 0.84 ALDH1A1 (0.46) CDC25BADRB2ADRB1ADRB3ALDH1A1
SCHEMBL19996568 0.81 KMT2A (0.48) PPARAPPARGCDC25BADRB2ADRB1
SCHEMBL19996573 0.79 ADRB2 (0.46) ADRB2ADRB1ADRB3ALDH1A1MAPK1
SCHEMBL22349909 0.79 MAPT (0.50) ADRB2ADRB1ADRB3ALDH1A1MAPK1
SCHEMBL19996564 0.79 ALDH1A1 (0.41) CDC25BADRB2ADRB1ADRB3ALDH1A1
SCHEMBL25761323 0.78 CASR (0.43) ALDH1A1L3MBTL1CA1CA2CA7

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-20230173406-A1 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION (US) 2023-06-08 US disclosed
US-11577179-B2 Chromatographic columns and separation devices comprising a superficially porous material; and use thereof for supercritical fluid chromatography and other chromatography WATERS TECHNOLOGIES CORPORATION (US) 2023-02-14 US disclosed
EP-3936226-A2 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY Waters Technologies Corporation (US) 2022-01-12 EP disclosed
US-20210331138-A1 CHROMATOGRAPHIC MATERIALS WATERS TECHNOLOGIES CORPORATION (US) 2021-10-28 US disclosed
US-11059026-B2 Chromatographic materials WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 US disclosed
US-20190217273-A1 CHROMATOGRAPHIC MATERIALS WATERS TECHNOLOGIES CORPORATION (US) 2019-07-18 US disclosed
US-10265679-B2 Chromatographic materials WATERS TECHNOLOGIES CORPORATION (US) 2019-04-23 US disclosed
WO-2019067632-A1 LIQUID CHROMATOGRAPHIC SEPARATION OF CARBOHYDRATE TAUTOMERS WATERS TECHNOLOGIES CORPORATION (US) 2019-04-04 WO disclosed
US-20190092800-A1 LIQUID CHROMATOGRAPHIC SEPARATION OF CARBOHYDRATE TAUTOMERS WATERS TECHNOLOGIES CORPORATION 2019-03-28 US disclosed
US-9925521-B2 Chromatographic materials WATERS TECHNOLOGIES CORPORATION (US) 2018-03-27 US disclosed
US-9925521-B2 Chromatographic materials WATERS TECHNOLOGIES CORPORATION (US) 2018-03-27 US 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 (7 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-20190092800-A1 LIQUID CHROMATOGRAPHIC SEPARATION OF CARBOHYDRATE TAUTOMERS GALE, MGAM, ALDOA PPARA 4655/4885PPARG 4598/4885CDC25B 3918/4885
US-20190217273-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 PPARA 4866/4885PPARG 4792/4885CDC25B 210/4885
US-20230173406-A1 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY SPECC1L, CCL5, CCR5 PPARA 4334/4885PPARG 4488/4885CDC25B 2996/4885
US-11577179-B2 Chromatographic columns and separation devices comprising a superficially porous material; and use thereof for supercritical fluid chromatography and other chromatography SEPTIN9, PORCN, SPECC1L PPARA 4794/4885PPARG 4837/4885CDC25B 2845/4885
US-11059026-B2 Chromatographic materials HAX1, CXCR1, YBX1 PPARA 4866/4885PPARG 4792/4885CDC25B 210/4885
US-20210331138-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 PPARA 4866/4885PPARG 4792/4885CDC25B 210/4885
US-10265679-B2 Chromatographic materials HAX1, CXCR1, YBX1 PPARA 4866/4885PPARG 4792/4885CDC25B 210/4885

“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.