SCHEMBL6002023

SCHEMBL6002023

OCC(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
SCHEMBL6002020 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106569297-A Polarizing plate 住友化学株式会社 2017-04-19 CN disclosed
CN-106569296-A Polarizing plate 住友化学株式会社 2017-04-19 CN disclosed
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
US-6573265-B2 Preventing or treating diseases caused by free radicals of the cellular oxygen metabolism, stimulating nerve cell growth, antagonizing glutamate receptors and/or stimulating the growth notably of glutamergic nerve cells; anticarcinogenic agents; PHAFAG AKTIENGESELLSCHAFT (LI) 2003-06-03 US disclosed
EP-0841334-B1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO LTD (JP) 2001-10-04 EP disclosed
US-20010006966-A1 Use of 1- (aminoalkyl) -3-quinoxaline-2-on derivatives for the preparation of compounds having an antioxidant action PHAFAG AKTIENGESELLSCHAFT (LI) 2001-07-05 US disclosed
US-5780650-A Process for preparation of 1,4-benzodioxane derivative DAISO CO., LTD. (JP) 1998-07-14 US disclosed
EP-0841334-A1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO., LTD. (JP) 1998-05-13 EP disclosed
US-5212316-A Respiratory system disorders BOEHRINGER MANNHEIM ITALIA (IT) 1993-05-18 US disclosed
EP-0303227-B1 ETHERS AND THIOETHERS HAVING THERAPEUTICAL ACTIVITY, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-02-05 EP disclosed
US-4968706-A MUCOLYTIC, ANTITUSSIVE, BRONCHODILATOR, ANTIINFLAMMATORY BOEHRINGER MANNHEIN ITALIA, S.P.A. (IT) 1990-11-06 US disclosed
EP-0303227-A1 Ethers and thioethers having therapeutical activity, their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-02-15 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-20010006966-A1 Use of 1- (aminoalkyl) -3-quinoxaline-2-on derivatives for the preparation of compounds having an antioxidant action GLS, GLUL, GLS2 CYP1A2 2150/4885KDM4E 2307/4885LMNA 4220/4885
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.