SCHEMBL21614404

SCHEMBL21614404

COc1cc(O)c(C)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
HMGCR P04035 2/20 0.42
HTT P42858 1/20 0.39
MAOB P27338 1/20 0.39
TUBB1 Q9H4B7 2/20 0.39
FASN P49327 1/20 0.38
ACHE P22303 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
EP300 Q09472 1/20 0.36
HSD17B2 P37059 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL24436688 0.82 HMGCR (0.45) CYP3A4HMGCRHTTMAOBTUBB1
SCHEMBL28977384 0.77 TUBB1 (0.39) CYP3A4HTTTUBB1ACHEMAPT
SCHEMBL21614377 0.77 ESR1 (0.42) CYP3A4HMGCRHTTMAOBTUBB1
SCHEMBL21614373 0.77 HMGCR (0.41) CYP3A4HMGCRHTTMAOBTUBB1
SCHEMBL21614371 0.77 HMGCR (0.41) CYP3A4HMGCRHTTMAOBTUBB1
SCHEMBL3623027 0.74 ACHE (0.48) CYP3A4HMGCRMAOBTUBB1ACHE
SCHEMBL16071608 0.74 ACHE (0.40) CYP3A4HMGCRTUBB1ACHECA1
SCHEMBL25404759 0.73 CYP3A4 (0.52) CYP3A4HMGCRHTTMAOBFASN
SCHEMBL12586769 0.73 CYP3A4 (0.50) CYP3A4HMGCRHTTMAOBFASN
SCHEMBL21614374 0.72 HMGCR (0.41) CYP3A4HMGCRHTTMAOBTUBB1

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-20210337789-A1 Derivatives of m-Guaiacol, Their Preparation and Their Uses UNIVERSITE DE CAEN NORMANDIE (FR) 2021-11-04 US disclosed
WO-2020007882-A1 M-GUAIACOL DERIVATIVES, PREPARATION THEREOF, AND USES THEREOF UNIVERSITE DE CAEN NORMANDIE (FR) 2020-01-09 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 (1 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-20210337789-A1 Derivatives of m-Guaiacol, Their Preparation and Their Uses MPG, MGLL, GANC CYP3A4 700/4885HMGCR 852/4885HTT 3358/4885

“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.