SCHEMBL21241570

SCHEMBL21241570

COC(=O)CNCCC(C)(C)c1cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.60
▸ ALOX15 P16050 3/20 0.53
▸ HPN P05981 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53
▸ PTGS1 P23219 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GSR P00390 1/20 0.36

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
SCHEMBL21241677 0.93 VCAM1 (0.52) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL21222725 0.87 HPN (0.55) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL21241682 0.81 VCAM1 (0.58) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL21241544 0.78 VCAM1 (0.67) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL21241574 0.77 ALOX15 (0.64) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL21222723 0.77 ALOX15 (0.68) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL21222718 0.77 ALOX15 (0.51) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8702930 0.76 VCAM1 (0.65) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL21222703 0.75 ALOX15 (0.57) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL21241681 0.75 ALOX15 (0.70) 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 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-20210040052-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF DEMOTECH.INC. (CN) 2021-02-11 — — 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
EP-3747863-A1 PROBUCOL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF DEMOTECH.INC. (CN) 2020-12-09 — — EP 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 44/4885ALOX15 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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