SCHEMBL4958905

SCHEMBL4958905

Clc1cccc(Cl)c1-c1cccc(OCC2CO2)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
FABP4 P15090 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
GRM2 Q14416 1/20 0.37
DRD4 P21917 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
XBP1 P17861 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
SCHEMBL4958908 1.00 ALDH1A1 (0.45) ALDH1A1GLATDP1HTR1AADRA1D
SCHEMBL4958526 0.88 ALDH1A1 (0.42) ALDH1A1GLATDP1HTR1AADRA1D
SCHEMBL4958534 0.88 ALDH1A1 (0.42) ALDH1A1GLATDP1HTR1AADRA1D
SCHEMBL4959817 0.83 KDM1A (0.41) ALDH1A1GLATDP1HTR1ADRD4
SCHEMBL4960084 0.83 ALDH1A1 (0.48) ALDH1A1GLATDP1CYP3A4DRD4
SCHEMBL4959798 0.83 KDM1A (0.41) ALDH1A1GLATDP1HTR1ADRD4
SCHEMBL4958602 0.83 ALDH1A1 (0.49) ALDH1A1GLATDP1ADRA1DADRA1A
SCHEMBL4958593 0.83 ALDH1A1 (0.49) ALDH1A1GLATDP1ADRA1DADRA1A
SCHEMBL10849294 0.80 ALDH1A1 (0.46) ALDH1A1GLATDP1TP53SMN1; SMN2
SCHEMBL8592447 0.80 ALDH1A1 (0.63) ALDH1A1GLATDP1HTR1AADRA1D

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 ALDH1A1 814/4885GLA 3732/4885TDP1 1728/4885

“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.