SCHEMBL21241676

SCHEMBL21241676

CC(C)(SCCC(=O)O)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.64
▸ HPN P05981 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ SIRT5 Q9NXA8 1/20 0.62
▸ GLRA3 O75311 1/20 0.40
▸ GLRB P48167 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 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
SCHEMBL10685643 0.88 HPN (0.66) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL21222730 0.82 VCAM1 (0.57) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL8309788 0.81 VCAM1 (0.55) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL14037559 0.79 VCAM1 (0.70) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL648883 0.79 VCAM1 (0.59) VCAM1HPNMAPTALOX15SIRT5
Probucol SCHEMBL5143451 0.79 HPN (1.00) VCAM1HPNMAPTALOX15SIRT5
Probucol SCHEMBL4150 0.79 HPN (1.00) VCAM1HPNMAPTALOX15SIRT5
Elsibucol SCHEMBL6002307 0.78 VCAM1 (0.73) VCAM1HPNMAPTALOX15SIRT5
Succinobucol SCHEMBL347492 0.78 VCAM1 (1.00) VCAM1HPNMAPTALOX15SIRT5
Probucol SCHEMBL4620631 0.77 ALOX15 (0.95) VCAM1HPNMAPTALOX15SIRT5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof DEMOTECH.INC. (CN) 2023-05-16 — — US disclosed
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof DEMOTECH.INC. (CN) 2023-05-16 — — US disclosed
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof DEMOTECH.INC. (CN) 2023-05-16 — — US disclosed
US-20210040052-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF DEMOTECH.INC. (CN) 2021-02-11 — — US disclosed
EP-3747863-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF DEMOTECH.INC. (CN) 2020-12-09 — — EP disclosed
CN-108299263-B Probucol derivative and preparation method and application thereof 北京德默高科医药技术有限公司 2020-12-01 — — CN disclosed
WO-2019149091-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 北京德默高科医药技术有限公司 2019-08-08 — — WO 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 (2 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-20210040052-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF PNLIP, FAR1, CETP VCAM1 44/4885HPN 1810/4885MAPT 2720/4885
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof PNLIP, FAR1, CETP VCAM1 44/4885HPN 1810/4885MAPT 2720/4885

“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.

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