SCHEMBL19996576

SCHEMBL19996576

O=C(CCCOCC(O)CO)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CDC25B P30305 1/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LPAR1 Q92633 3/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CASP1 P29466 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL19996583 0.90 CA1 (0.51) ALDH1A1MAPK1L3MBTL1CDC25BCA1
SCHEMBL24180469 0.90 CA1 (0.51) ALDH1A1MAPK1L3MBTL1CDC25BCA1
SCHEMBL19996564 0.86 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1CDC25BCA1
SCHEMBL31751538 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL19300624 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL19996573 0.84 ADRB2 (0.46) ALDH1A1MAPK1L3MBTL1ADRB2ADRB1
SCHEMBL22349909 0.84 MAPT (0.50) ALDH1A1MAPK1L3MBTL1ADRB2ADRB1
SCHEMBL19996574 0.84 PPARA (0.42) ALDH1A1MAPK1L3MBTL1CDC25BCA1
SCHEMBL24180417 0.83 ABCB1 (0.48) ALDH1A1MAPK1L3MBTL1TDP1LPAR1
SCHEMBL19996565 0.83 ABCB1 (0.48) ALDH1A1MAPK1L3MBTL1TDP1LPAR1

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 2 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-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 (1 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-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 3401/4885MAPK1 4626/4885L3MBTL1 4840/4885

“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.