SCHEMBL19996573

SCHEMBL19996573

O=C(CCCOCC(O)CNCc1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
BCHE P06276 1/20 0.43
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL19996557 0.94 ADRB2 (0.42) ADRB2ADRB1ADRB3BCHECCR6
SCHEMBL19996572 0.92 TRPV1 (0.41) ADRB2ADRB1ADRB3BCHEMEN1
SCHEMBL19996562 0.90 MEN1 (0.45) ADRB2ADRB1ADRB3ALDH1A1MAPK1
SCHEMBL19996556 0.90 ACHE (0.44) ADRB2ADRB1ADRB3ALDH1A1MAPK1
SCHEMBL19996579 0.87 KDM4E (0.45) ADRB2ADRB1ADRB3ALDH1A1MAPK1
SCHEMBL19996560 0.86 KEAP1 (0.40) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL22349909 0.86 MAPT (0.50) ADRB2ADRB1ADRB3ALDH1A1MAPK1
SCHEMBL24180469 0.85 CA1 (0.51) ADRB2ADRB1ADRB3ALDH1A1MAPK1
SCHEMBL19996583 0.85 CA1 (0.51) ADRB2ADRB1ADRB3ALDH1A1MAPK1
SCHEMBL19996576 0.84 ALDH1A1 (0.46) ADRB2ADRB1ADRB3ALDH1A1MAPK1

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 ADRB2 2858/4885ADRB1 2323/4885ADRB3 2609/4885
US-20190217273-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 ADRB2 1952/4885ADRB1 1231/4885ADRB3 3073/4885
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 ADRB2 4705/4885ADRB1 4706/4885ADRB3 4651/4885
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 ADRB2 4657/4885ADRB1 4726/4885ADRB3 4739/4885
US-11059026-B2 Chromatographic materials HAX1, CXCR1, YBX1 ADRB2 1952/4885ADRB1 1231/4885ADRB3 3073/4885
US-20210331138-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 ADRB2 1952/4885ADRB1 1231/4885ADRB3 3073/4885
US-10265679-B2 Chromatographic materials HAX1, CXCR1, YBX1 ADRB2 1952/4885ADRB1 1231/4885ADRB3 3073/4885

“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.