SCHEMBL19996583

SCHEMBL19996583

O=C(CCCOCC(O)COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LPAR1 Q92633 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
CDC25B P30305 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
POLB P06746 1/20 0.42
SLC1A1 P43005 1/20 0.42

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
SCHEMBL24180469 1.00 CA1 (0.51) CA1CA2CA7CA9MAPK1
SCHEMBL19996576 0.90 ALDH1A1 (0.46) CA1CA2CA7CA9MAPK1
SCHEMBL23964627 0.89 LMNA (0.46) CA1CA2CA7CA9LPAR1
SCHEMBL19996566 0.87 PRMT5 (0.42) CA1CA2CA7CA9MAPK1
SCHEMBL6181708 0.87 ALDH1A1 (0.58) MAPK1ALDH1A1L3MBTL1TDP1CDC25B
SCHEMBL19996573 0.85 ADRB2 (0.46) MAPK1ALDH1A1L3MBTL1ADRB2ADRB1
SCHEMBL22349909 0.85 MAPT (0.50) MAPK1ALDH1A1L3MBTL1ADRB2ADRB1
SCHEMBL19996564 0.85 ALDH1A1 (0.41) CA1CA2CA7CA9MAPK1
SCHEMBL19996574 0.85 PPARA (0.42) CA1CA2CA7CA9MAPK1
SCHEMBL19996584 0.84 LPAR1 (0.39) CA1CA2CA7CA9MAPK1

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 CA1 222/4885CA2 518/4885CA7 196/4885
US-20190217273-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 CA1 23/4885CA2 428/4885CA7 142/4885
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 CA1 261/4885CA2 1654/4885CA7 297/4885
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 CA1 35/4885CA2 973/4885CA7 133/4885
US-11059026-B2 Chromatographic materials HAX1, CXCR1, YBX1 CA1 23/4885CA2 428/4885CA7 142/4885
US-20210331138-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 CA1 23/4885CA2 428/4885CA7 142/4885
US-10265679-B2 Chromatographic materials HAX1, CXCR1, YBX1 CA1 23/4885CA2 428/4885CA7 142/4885

“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.