SCHEMBL4959817

SCHEMBL4959817

Fc1ccc(OCC2CO2)c(OCc2ccccc2)c1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.41
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
S1PR5 Q9H228 1/20 0.36
DRD4 P21917 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL4959798 1.00 KDM1A (0.41) KDM1AALDH1A1GLATDP1MAOA
SCHEMBL4959523 0.92 DRD4 (0.39) KDM1AALDH1A1GLATDP1MAOA
SCHEMBL4958526 0.90 ALDH1A1 (0.42) ALDH1A1GLATDP1DRD4ALOX5AP
SCHEMBL4958534 0.90 ALDH1A1 (0.42) ALDH1A1GLATDP1DRD4ALOX5AP
SCHEMBL4960077 0.89 ALDH1A1 (0.48) KDM1AALDH1A1GLATDP1MAOA
SCHEMBL4958905 0.83 ALDH1A1 (0.45) KDM1AALDH1A1GLATDP1MAOA
SCHEMBL4958908 0.83 ALDH1A1 (0.45) KDM1AALDH1A1GLATDP1MAOA
SCHEMBL4960084 0.82 ALDH1A1 (0.48) ALDH1A1GLATDP1DRD4
SCHEMBL1041768 0.82 KDM1A (0.49) KDM1AALDH1A1GLATDP1MAOA
SCHEMBL4957592 0.81 ALDH1A1 (0.36) ALDH1A1GLATDP1ALOX5APFEN1

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 KDM1A 1156/4885ALDH1A1 814/4885GLA 3732/4885

“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.