SCHEMBL21055985

SCHEMBL21055985

Cc1ccc([S@+]([O-])c2cc(C)ccc2Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
ACHE P22303 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL21055984 1.00 ALDH1A1 (0.34) ALDH1A1ACHETDP1MAPK1CYP1A2
SCHEMBL21055989 0.81 ALDH1A1 (0.37) ALDH1A1ACHETDP1MAPK1
SCHEMBL21055988 0.81 ALDH1A1 (0.37) ALDH1A1ACHETDP1MAPK1
SCHEMBL11759062 0.77 TRPA1 (0.45) ALDH1A1ACHETDP1
SCHEMBL2787907 0.76 TDP1 (0.37) ALDH1A1ACHETDP1CYP1A2CYP2A6
SCHEMBL235851 0.73 ACHE (0.50) ALDH1A1ACHETDP1CYP2A6
SCHEMBL4401131 0.73 ACHE (0.50) ALDH1A1ACHETDP1CYP2A6
SCHEMBL31010991 0.73 ACHE (0.39) ALDH1A1ACHETDP1CYP2A6
SCHEMBL28350315 0.73 ALDH1A1 (0.62) ALDH1A1ACHETDP1CYP1A2CYP2A6
SCHEMBL19500053 0.72 ACHE (0.33) ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434253-B2 Enantiopure terphenyls with two ortho-atropisomeric axes UNIVERSITE DE STRASBOURG (FR) 2022-09-06 US disclosed
US-20210070785-A1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-03-11 US disclosed
EP-3724154-A1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES Université de Strasbourg (FR) 2020-10-21 EP disclosed
EP-3498684-B1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES UNIV STRASBOURG (FR) 2020-10-14 EP disclosed
WO-2019115597-A1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES UNIVERSITE DE STRASBOURG (FR) 2019-06-20 WO disclosed
EP-3498684-A1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES Université de Strasbourg (FR) 2019-06-19 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-11434253-B2 Enantiopure terphenyls with two ortho-atropisomeric axes THOP1, COMT, TPR ALDH1A1 1707/4885ACHE 22/4885TDP1 2414/4885
US-20210070785-A1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES THOP1, COMT, TPR ALDH1A1 1707/4885ACHE 22/4885TDP1 2414/4885

“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.