SCHEMBL21611906

SCHEMBL21611906

COc1cc(O)c(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.41
DPP4 P27487 9/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
FLT1 P17948 3/20 0.39
FGFR1 P11362 2/20 0.39
RAB9A P51151 2/20 0.39
KDR P35968 2/20 0.39
HTT P42858 2/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
FLT4 P35916 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL21614370 0.83 NPC1 (0.45) HMGCRHPGDRAB9AHTTLMNA
SCHEMBL32675249 0.83 NPC1 (0.45) HMGCRHPGDRAB9AHTTLMNA
SCHEMBL23972607 0.83 GAA (0.40) HMGCRDPP4RAF1BRAFFLT1
SCHEMBL19088274 0.82 HTR2A (0.44) HPGDRAB9AHTTLMNAMAPK1
SCHEMBL11003488 0.82 HTT (0.48) HMGCRDPP4HPGDTSHRHSD17B10
SCHEMBL7792597 0.80 NPC1 (0.56) DPP4HPGDTSHRHSD17B10KDR
SCHEMBL69147 0.80 HSD17B10 (0.52) DPP4HPGDTSHRHSD17B10RAB9A
SCHEMBL19756672 0.80 HTR2A (0.47) HPGDTSHRRAB9AHTTLMNA
SCHEMBL24445889 0.80 HMGCR (0.45) HMGCRTSHRRAB9AKDRHTT
SCHEMBL17086577 0.77 GLA (0.47) TSHRRAB9AHTTLMNAMAPK1

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 5 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
US-20210337789-A1 Derivatives of m-Guaiacol, Their Preparation and Their Uses UNIVERSITE DE CAEN NORMANDIE (FR) 2021-11-04 US disclosed
EP-3817551-A1 M-GUAIACOL DERIVATIVES, PREPARATION THEREOF, AND USES THEREOF Université de Caen Normandie (FR) 2021-05-12 EP disclosed
WO-2020007882-A1 M-GUAIACOL DERIVATIVES, PREPARATION THEREOF, AND USES THEREOF UNIVERSITE DE CAEN NORMANDIE (FR) 2020-01-09 WO 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 HMGCR 852/4885DPP4 391/4885HPGD 1574/4885

“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.