SCHEMBL6002020

SCHEMBL6002020

OC[C@@H](O)COc1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.66
KDM4E B2RXH2 3/20 0.66
LMNA P02545 3/20 0.66
AGTR1 P30556 1/20 0.66
MEN1 O00255 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
GAA P10253 2/20 0.53
JAK2 O60674 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
ALOX15 P16050 2/20 0.44
NR2E1 Q9Y466 1/20 0.44
APP P05067 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6002023 1.00 CYP1A2 (0.66) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL6943916 0.90 LMNA (0.59) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL26326254 0.88 CYP1A2 (0.81) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL14181121 0.83 LMNA (0.52) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL13922493 0.83 GAA (0.52) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL4741420 0.83 ALOX15 (0.63) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL28498576 0.82 GAA (0.59) CYP1A2KDM4ELMNAAGTR1GAA
Guaifenesin SCHEMBL4322 0.79 CYP1A2 (1.00) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL5827090 0.79 CYP1A2 (0.64) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL6481560 0.79 MEN1 (0.64) CYP1A2KDM4ELMNAAGTR1MEN1

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-20060167282-A1 Process for industrially producing optically active 1,4- benzodioxane derivative KANEKA CORPORATION (JP) 2006-07-27 US disclosed
EP-1553095-A1 PROCESS FOR INDUSTRIALLY PRODUCING OPTICALLY ACTIVE 1,4-BENZODIOXANE DERIVATIVE KANEKA CORPORATION (JP) 2005-07-13 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 (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-20060167282-A1 Process for industrially producing optically active 1,4- benzodioxane derivative STS, CYP1B1, SULT1A1 CYP1A2 99/4885KDM4E 1398/4885LMNA 4696/4885

“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.