SCHEMBL4959523

SCHEMBL4959523

Fc1ccc(OC[C@H]2CO2)c(OCc2ccccc2)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.39
SLC6A4 P31645 1/20 0.39
KDM1A O60341 4/20 0.38
CNR1 P21554 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
PTGER1 P34995 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 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
SCHEMBL4959817 0.92 KDM1A (0.41) DRD4SLC6A4KDM1AMAOAMAOB
SCHEMBL4959798 0.92 KDM1A (0.41) DRD4SLC6A4KDM1AMAOAMAOB
SCHEMBL4960077 0.83 ALDH1A1 (0.48) SLC6A4KDM1AMAOAMAOBALDH1A1
SCHEMBL4958526 0.82 ALDH1A1 (0.42) DRD4SLC6A4ALDH1A1GLAPTGER1
SCHEMBL4958534 0.82 ALDH1A1 (0.42) DRD4SLC6A4ALDH1A1GLAPTGER1
SCHEMBL1041768 0.79 KDM1A (0.49) SLC6A4KDM1AMAOAMAOBALDH1A1
SCHEMBL4175275 0.78 SLC6A4 (0.57) DRD4SLC6A4HTR2CHTR2BALDH1A1
SCHEMBL3354689 0.78 SLC6A4 (0.57) DRD4SLC6A4HTR2CHTR2BALDH1A1
SCHEMBL4958842 0.77 MAOB (0.42) KDM1ACNR1MRGPRX4MAOBPTGER1
SCHEMBL4960084 0.77 ALDH1A1 (0.48) DRD4ALDH1A1GLAPTGER1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A DRD4 71/4885SLC6A4 213/4885KDM1A 1156/4885

“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.