SCHEMBL21241548

SCHEMBL21241548

CC(C)(C)c1cc(S)cc(C(C)(C)CCO)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
CA1 P00915 2/20 0.45
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.44
TYR P14679 1/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
GSR P00390 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 4/20 0.43
LMNA P02545 4/20 0.43
ALOX15 P16050 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL22964078 0.83 ALOX15 (0.51) ALDH1A1SMN1; SMN2POLBHPGDMAPK1
SCHEMBL224048 0.82 CA2 (0.64) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL28488741 0.82 SMN1; SMN2 (0.31) CA2ALDH1A1SMN1; SMN2POLBTYR
SCHEMBL10846510 0.81 CA2 (0.41) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL21241385 0.81 MAPT (0.49) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL21241641 0.81 MAPT (0.52) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL21241539 0.80 ALOX15 (0.56) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL10506187 0.80 CA2 (0.47) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL21241681 0.79 ALOX15 (0.70) CA2CA1ALDH1A1SMN1; SMN2HPGD
SCHEMBL21222714 0.79 ALOX15 (0.70) CA2CA1ALDH1A1SMN1; SMN2HPGD

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 9 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
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
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 CA2 4494/4885CA1 4508/4885ALDH1A1 239/4885
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof PNLIP, FAR1, CETP CA2 4494/4885CA1 4508/4885ALDH1A1 239/4885

“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.