SCHEMBL4960077

SCHEMBL4960077

Cc1ccccc1-c1c(F)ccc(OC[C@H]2CO2)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
KDM1A O60341 10/20 0.41
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
FFAR1 O14842 2/20 0.37
HTR1A P08908 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARD Q03181 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 0.89 KDM1A (0.41) ALDH1A1GLAKDM1ATDP1MAOA
SCHEMBL4959817 0.89 KDM1A (0.41) ALDH1A1GLAKDM1ATDP1MAOA
SCHEMBL4960084 0.87 ALDH1A1 (0.48) ALDH1A1GLATDP1FFAR1PTPN1
SCHEMBL4959523 0.83 DRD4 (0.39) ALDH1A1GLAKDM1ATDP1MAOA
SCHEMBL1041768 0.82 KDM1A (0.49) ALDH1A1GLAKDM1ATDP1MAOA
SCHEMBL8592447 0.80 ALDH1A1 (0.63) ALDH1A1GLAKDM1ATDP1MAOA
SCHEMBL1020644 0.78 KDM1A (0.53) ALDH1A1GLAKDM1ATDP1MAOA
SCHEMBL4958534 0.78 ALDH1A1 (0.42) ALDH1A1GLATDP1HTR1ASLC6A4
SCHEMBL4958526 0.78 ALDH1A1 (0.42) ALDH1A1GLATDP1HTR1ASLC6A4
SCHEMBL4959903 0.76 KDM1A (0.42) KDM1ATDP1FFAR1SLC6A2SLC6A3

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 3732/4885KDM1A 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.