SCHEMBL6107382

SCHEMBL6107382

CNC1COc2cc(Cl)cc(-c3cc(Cl)ccc3OC)c2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
HTR2C P28335 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL6107386 1.00 HTT (0.43) HTTMAPTNPC1TSHRNPSR1
SCHEMBL4968840 0.89 HTR7 (0.46) HTTMAPTTSHRALDH1A1HTR2C
SCHEMBL4968845 0.89 HTR7 (0.46) HTTMAPTTSHRALDH1A1HTR2C
SCHEMBL4962751 0.85 CA2 (0.33) HTTMAPTNPC1ALDH1A1KDM4E
SCHEMBL4961210 0.84 HTR7 (0.39) HTTMAPTTSHRALDH1A1HTR1A
SCHEMBL4961667 0.84 AQP1 (0.41) HTTNPC1RAB9AHTR2CHTR2A
SCHEMBL4960250 0.83 NPC1 (0.39) HTTNPC1POLB
SCHEMBL4960249 0.83 NPC1 (0.39) HTTNPC1POLB
SCHEMBL6104341 0.80 ALDH1A1 (0.40) HTTMAPTNPC1TSHRNPSR1
SCHEMBL6107379 0.80 HTT (0.40) HTTMAPTNPC1TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 2102/4885MAPT 3207/4885NPC1 3515/4885

“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.