SCHEMBL21735837

SCHEMBL21735837

C=C(C)C(=O)OCC(C)(C)CSc1ccc2cc(-c3cccnc3)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
KDM4E B2RXH2 3/20 0.34
APP P05067 1/20 0.34
MEN1 O00255 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER2 P43116 1/20 0.34
SOAT2 O75908 3/20 0.33
MAPT P10636 2/20 0.33
S1PR1 P21453 1/20 0.33
CYP1A2 P05177 1/20 0.33
DUSP10 Q9Y6W6 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 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
SCHEMBL21734929 0.90 CYP3A4 (0.34) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6
SCHEMBL21735373 0.89 CYP3A4 (0.34) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6
SCHEMBL21735118 0.87 CYP3A4 (0.33) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6
SCHEMBL21735075 0.81 CYP3A4 (0.34) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6
SCHEMBL21735229 0.81 KDM4E (0.35) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6
SCHEMBL21735380 0.81 CYP3A4 (0.34) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6
SCHEMBL21734968 0.81 CYP3A4 (0.34) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6
SCHEMBL21735268 0.80 CYP3A4 (0.33) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6
SCHEMBL21735237 0.79 HDAC6 (0.37) CYP2C19CYP2C9KDM4EMEN1KMT2A
SCHEMBL26291630 0.78 APP (0.43) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 US 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 CYP3A4 1890/4885CYP2C19 1852/4885CYP2E1 3677/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CYP3A4 1890/4885CYP2C19 1852/4885CYP2E1 3677/4885

“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.