SCHEMBL19996567

SCHEMBL19996567

O=C(CCCOCC(O)CSCc1ccccn1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
LPAR1 Q92633 3/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TLR2 O60603 1/20 0.36
CDC25B P30305 1/20 0.36
FAAH O00519 1/20 0.35
PTPRA P18433 1/20 0.35

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
SCHEMBL19996574 0.87 PPARA (0.42) ALDH1A1MAPK1PPARGPPARAL3MBTL1
SCHEMBL19996566 0.86 PRMT5 (0.42) ALDH1A1TSHRMAPK1PPARGPPARA
SCHEMBL19996568 0.85 KMT2A (0.48) ALDH1A1TSHRMAPK1PPARGPPARA
SCHEMBL23964465 0.84 KMT2A (0.42) ADRB2ADRB1ADRB3TLR2CDC25B
SCHEMBL19996558 0.82 PPARG (0.38) ALDH1A1MAPK1PPARGPPARAL3MBTL1
SCHEMBL19996579 0.82 KDM4E (0.45) ALDH1A1TSHRCYP1A2MAPK1ADRB2
SCHEMBL19996584 0.80 LPAR1 (0.39) ALDH1A1TSHRMAPK1L3MBTL1CASP3
SCHEMBL25761318 0.78 TSHR (0.44) ALDH1A1TSHRCYP1A2MAPK1L3MBTL1
SCHEMBL19996583 0.78 CA1 (0.51) ALDH1A1MAPK1L3MBTL1LPAR1ADRB2
SCHEMBL24180469 0.78 CA1 (0.51) ALDH1A1MAPK1L3MBTL1LPAR1ADRB2

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 10 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
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 ALDH1A1 2963/4885TSHR 3591/4885CYP1A2 1860/4885
US-20190217273-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 ALDH1A1 1836/4885TSHR 2500/4885CYP1A2 1833/4885
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 ALDH1A1 3401/4885TSHR 4745/4885CYP1A2 3279/4885
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 ALDH1A1 3766/4885TSHR 4592/4885CYP1A2 3834/4885
US-11059026-B2 Chromatographic materials HAX1, CXCR1, YBX1 ALDH1A1 1836/4885TSHR 2500/4885CYP1A2 1833/4885
US-20210331138-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 ALDH1A1 1836/4885TSHR 2500/4885CYP1A2 1833/4885
US-10265679-B2 Chromatographic materials HAX1, CXCR1, YBX1 ALDH1A1 1836/4885TSHR 2500/4885CYP1A2 1833/4885

“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.