SCHEMBL21055993

SCHEMBL21055993

COc1ccc(C)c(-c2ccccc2[S+]([O-])c2ccc(C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 2/20 0.36
GPR3 P46089 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2A6 P11509 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL21055994 1.00 ACHE (0.38) ACHECYP2C19CYP2C9CYP3A4GPR3
SCHEMBL8933405 0.76 KEAP1 (0.41) ACHECYP1A2CYP2A6ALDH1A1TDP1
SCHEMBL21480791 0.75 CYP1A2 (0.48) ACHECYP2C19CYP2C9CYP3A4GPR3
SCHEMBL1723322 0.73 ACHE (0.52) ACHECYP2C19CYP2C9CYP3A4CYP1A2
SCHEMBL12736406 0.73 ACHE (0.65) ACHESMN1; SMN2GAAALDH1A1MAPT
SCHEMBL31010991 0.73 ACHE (0.39) ACHECYP2A6SMN1; SMN2GAAALDH1A1
SCHEMBL31038383 0.72 CA1 (0.41) ACHESMN1; SMN2GAAALDH1A1MAPT
SCHEMBL23068615 0.72 NPC1 (0.33) CYP2C19CYP2C9CYP1A2SMN1; SMN2GAA
SCHEMBL21055991 0.72 AGPAT2 (0.38) ALDH1A1MAPTTDP1KMT2ATSHR
SCHEMBL21055982 0.72 NPC1 (0.33) CYP2C19CYP2C9CYP1A2SMN1; SMN2GAA

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-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-3498684-B1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES UNIV STRASBOURG (FR) 2020-10-14 EP 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 ACHE 22/4885CYP2C19 64/4885CYP2C9 67/4885
US-20210070785-A1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES THOP1, COMT, TPR ACHE 22/4885CYP2C19 64/4885CYP2C9 67/4885

“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.