SCHEMBL22729254

SCHEMBL22729254

CCOC(=O)CSC(C)(C)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.60
▸ ALOX15 P16050 2/20 0.57
▸ HPN P05981 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ SIRT5 Q9NXA8 1/20 0.57
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ HMGCR P04035 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 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
SCHEMBL21222730 0.87 VCAM1 (0.57) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL21241544 0.86 VCAM1 (0.67) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL5574398 0.82 VCAM1 (0.61) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL10685643 0.81 HPN (0.66) VCAM1ALOX15HPNMAPTSIRT5
Probucol SCHEMBL4242709 0.78 ALOX15 (0.75) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL11736394 0.77 HPN (0.54) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL5574203 0.76 VCAM1 (0.58) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL9551145 0.76 HDAC3 (0.46) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL18853856 0.75 VCAM1 (0.56) VCAM1ALOX15HPNMAPTSIRT5
Probucol SCHEMBL5143451 0.75 HPN (1.00) VCAM1ALOX15HPNMAPTSIRT5

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 4 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-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

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 44/4885ALOX15 55/4885HPN 1810/4885
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof PNLIP, FAR1, CETP VCAM1 44/4885ALOX15 55/4885HPN 1810/4885

“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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