SCHEMBL19996575

SCHEMBL19996575

O=C(CCCOCC(O)CNc1ccccn1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.45
CYP2D6 P10635 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ANPEP P15144 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
FDPS P14324 1/20 0.39
FABP1 P07148 1/20 0.39
FABP6 P51161 1/20 0.39
ITGB3 P05106 6/20 0.38
ITGAV P06756 5/20 0.38
ITGB1 P05556 2/20 0.38
ITGB5 P18084 2/20 0.38
ITGB6 P18564 2/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL22349909 0.85 MAPT (0.50) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL19996579 0.84 KDM4E (0.45) CYP2D6ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL19996566 0.82 PRMT5 (0.42) ALDH1A1
SCHEMBL19996584 0.82 LPAR1 (0.39) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL22349907 0.81 HDAC1 (0.47) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL19996573 0.80 ADRB2 (0.46) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL19996568 0.80 KMT2A (0.48) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL24180469 0.79 CA1 (0.51) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL19996583 0.79 CA1 (0.51) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL19996557 0.79 ADRB2 (0.42) ADRB2ADRB1ADRB3ALDH1A1

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 GRIN2B 3595/4885CYP2D6 1910/4885ADRB2 2858/4885
US-20190217273-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 GRIN2B 986/4885CYP2D6 3414/4885ADRB2 1952/4885
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 GRIN2B 3938/4885CYP2D6 4269/4885ADRB2 4705/4885
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 GRIN2B 4113/4885CYP2D6 4553/4885ADRB2 4657/4885
US-11059026-B2 Chromatographic materials HAX1, CXCR1, YBX1 GRIN2B 986/4885CYP2D6 3414/4885ADRB2 1952/4885
US-20210331138-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 GRIN2B 986/4885CYP2D6 3414/4885ADRB2 1952/4885
US-10265679-B2 Chromatographic materials HAX1, CXCR1, YBX1 GRIN2B 986/4885CYP2D6 3414/4885ADRB2 1952/4885

“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.