SCHEMBL22729265

SCHEMBL22729265

C=CC(=O)C=CCCC=CC(=O)C=CCCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
PTPN1 P18031 1/20 0.33
PPARA Q07869 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL22729264 1.00 TAS1R3 (0.40) TAS1R3TAS1R1TSHRALDH1A1PTPN1
SCHEMBL1686949 0.96
SCHEMBL1686947 0.96
SCHEMBL2128303 0.86 TAS1R3 (0.48) TAS1R3TAS1R1ALDH1A1PTPN1PPARA
SCHEMBL9069564 0.86 TAS1R3 (0.48) TAS1R3TAS1R1ALDH1A1PTPN1PPARA
SCHEMBL647051 0.84 TOP1 (0.50) TSHRPPARA
SCHEMBL647052 0.84 TOP1 (0.50) TSHRPPARA
SCHEMBL17294082 0.83 TSHR (0.48) TSHRALDH1A1PTPN1PPARAHPGD
SCHEMBL17294081 0.83 TSHR (0.48) TSHRALDH1A1PTPN1PPARAHPGD
SCHEMBL5925126 0.81 PPARG (0.49) TSHRPTPN1PPARA

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 3 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

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 TAS1R3 2712/4885TAS1R1 2403/4885TSHR 3501/4885
US-11649220-B2 Probucol derivative, preparation method therefor and use thereof PNLIP, FAR1, CETP TAS1R3 2712/4885TAS1R1 2403/4885TSHR 3501/4885

“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.