SCHEMBL6104331

SCHEMBL6104331

COc1ccc(Cl)cc1-c1cc(Cl)cc2c1OC(CN)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
SLC9A1 P19634 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
CYP2C9 P11712 1/20 0.36
ERN1 O75460 1/20 0.36
NR1I2 O75469 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
SCHEMBL4961854 0.91 HDAC4 (0.37) ALDH1A1HPGDSLC9A1KDM4EUSP2
SCHEMBL6105736 0.89 MAP2 (0.39)
SCHEMBL4965160 0.83 GAA (0.37) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL4964618 0.82 AQP1 (0.37) ALDH1A1SLC9A1KDM4ERXFP1MEN1
SCHEMBL4964356 0.82 AQP1 (0.38) NPC1L3MBTL1SMN1; SMN2
SCHEMBL6105035 0.81 AQP1 (0.47) KDM4EUSP2TDP1LMNA
SCHEMBL6107379 0.81 HTT (0.40) ALDH1A1HPGDSLC9A1KDM4ENPC1
SCHEMBL6104341 0.78 ALDH1A1 (0.40) ALDH1A1HPGDKDM4ENPC1USP2
SCHEMBL6103681 0.77 NR1I2 (0.40) ALDH1A1KDM4ENPSR1TDP1LMNA
SCHEMBL6104448 0.77 DPP4 (0.40)

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
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US 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 814/4885HPGD 633/4885SLC9A1 1350/4885

“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.