SCHEMBL19996565

SCHEMBL19996565

CCN(CC)CC(O)COCCCC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.39
LPAR1 Q92633 2/20 0.38
PLK1 P53350 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
SCHEMBL24180417 1.00 ABCB1 (0.48) ABCB1TSHRLMNAPOLBALDH1A1
SCHEMBL20224986 0.94 ABCB1 (0.43) ABCB1TSHRLMNAPOLBALDH1A1
SCHEMBL20224964 0.92 SIRT2 (0.45) ABCB1TSHRPOLBALDH1A1L3MBTL1
SCHEMBL20851486 0.90 ABCB1 (0.41) ABCB1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL19996564 0.89 ALDH1A1 (0.41) ABCB1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL19996561 0.89 ALDH1A1 (0.45) TSHRPOLBALDH1A1L3MBTL1MAPK1
SCHEMBL25018154 0.88 ABCB1 (0.39) ABCB1TSHRLMNAPOLBALDH1A1
SCHEMBL24180455 0.86 ALDH1A1 (0.40) ABCB1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL24180469 0.84 CA1 (0.51) POLBALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL19996583 0.84 CA1 (0.51) POLBALDH1A1L3MBTL1MAPK1TDP1

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 13 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-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed
US-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 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 ABCB1 4286/4885TSHR 3591/4885LMNA 736/4885
US-20190217273-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 ABCB1 910/4885TSHR 2500/4885LMNA 647/4885
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 ABCB1 1009/4885TSHR 4745/4885LMNA 1219/4885
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 ABCB1 1311/4885TSHR 4592/4885LMNA 1183/4885
US-11059026-B2 Chromatographic materials HAX1, CXCR1, YBX1 ABCB1 910/4885TSHR 2500/4885LMNA 647/4885
US-20210331138-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 ABCB1 910/4885TSHR 2500/4885LMNA 647/4885
US-10265679-B2 Chromatographic materials HAX1, CXCR1, YBX1 ABCB1 910/4885TSHR 2500/4885LMNA 647/4885

“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.