SCHEMBL663137

SCHEMBL663137

CC(OCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.45
CHRM1 P11229 3/20 0.45
HTR1A P08908 2/20 0.45
ADRA2A P08913 2/20 0.45
DRD1 P21728 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
ADRA1A P35348 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
TBXA2R P21731 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 4/20 0.41

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
SCHEMBL4217975 0.83 ALDH1A1 (0.54) CHRM2CHRM1ALDH1A1RECQLALOX15
SCHEMBL10786977 0.83 CHRM2 (0.47) CHRM2CHRM1HTR1AADRA2ADRD1
SCHEMBL28866226 0.82 ALDH1A1 (0.42) ALDH1A1RECQLALOX15MAPK1CYP3A4
SCHEMBL25018337 0.81 CHRM2 (0.46) CHRM2CHRM1HTR1AADRA2ADRD1
SCHEMBL22468582 0.80 CHRM2 (0.50) CHRM2CHRM1HTR1AADRA2ADRD1
SCHEMBL7962792 0.79 CHRM2 (0.45) CHRM2CHRM1HTR1AADRA2ADRD1
SCHEMBL662478 0.79 KIF11 (0.64) CHRM2CHRM1HTR1AADRA2ADRD1
SCHEMBL2491921 0.78 KIF11 (0.63) ALDH1A1RECQLALOX15CYP2C19CYP2C9
SCHEMBL4155156 0.76 ALDH1A1 (0.41) CHRM2CHRM1OPRM1DRD3SLC6A3
Moxastine SCHEMBL29281 0.76 CHRM2 (0.71) CHRM2CHRM1HTR1AADRA2ADRD1

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
EP-2351730-B1 ETHOXY DIPHENYL ETHANE DERIVATES, PREPARATION PROCESSES AND USES THEREOF SHANGHAI ECUST BIOMEDICINE CO LTD (CN) 2014-07-30 EP disclosed
US-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof Zhejiang Wild Wind Pharmaceutical Co., Ltd. (CN) 2012-02-23 US disclosed
EP-2351730-A1 ETHOXY DIPHENYL ETHANE DERIVATES, PREPARATION PROCESSES AND USES THEREOF Shanghai Ecust Biomedicine Co., Ltd (CN) 2011-08-03 EP disclosed
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 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-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof TUBB1, TUBB, TUBB3 CHRM2 4195/4885CHRM1 4135/4885HTR1A 3462/4885

“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.