SCHEMBL19996572

SCHEMBL19996572

O=C(CCCOCC(O)CNCc1ccc(B(O)O)cc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BCHE P06276 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
SCHEMBL19996573 0.92 ADRB2 (0.46) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL20920859 0.87 ADRB2 (0.37) ADRB2ADRB1ADRB3
SCHEMBL19996557 0.86 ADRB2 (0.42) ADRB2ADRB1ADRB3BCHE
SCHEMBL19996562 0.84 MEN1 (0.45) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL19996556 0.82 ACHE (0.44) ADRB2ADRB1ADRB3KMT2A
SCHEMBL19996560 0.81 KEAP1 (0.40) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL19996579 0.80 KDM4E (0.45) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL22349909 0.79 MAPT (0.50) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL24180469 0.78 CA1 (0.51) ADRB2ADRB1ADRB3
SCHEMBL19996583 0.78 CA1 (0.51) ADRB2ADRB1ADRB3

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 9 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
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
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 TRPV1 3970/4885ADRB2 2858/4885ADRB1 2323/4885
US-20190217273-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 TRPV1 2276/4885ADRB2 1952/4885ADRB1 1231/4885
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 TRPV1 2896/4885ADRB2 4705/4885ADRB1 4706/4885
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 TRPV1 3425/4885ADRB2 4657/4885ADRB1 4726/4885
US-11059026-B2 Chromatographic materials HAX1, CXCR1, YBX1 TRPV1 2276/4885ADRB2 1952/4885ADRB1 1231/4885
US-20210331138-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 TRPV1 2276/4885ADRB2 1952/4885ADRB1 1231/4885
US-10265679-B2 Chromatographic materials HAX1, CXCR1, YBX1 TRPV1 2276/4885ADRB2 1952/4885ADRB1 1231/4885

“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.