SCHEMBL6904787

SCHEMBL6904787

COC(=O)c1c(OC)c(N)cc(Cl)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
ABL1 P00519 1/20 0.44
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
HPGD P15428 3/20 0.41
TAS1R2 Q8TE23 2/20 0.40
NQO2 P16083 1/20 0.40
TPMT P51580 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
CISD2 Q8N5K1 1/20 0.39
GUSB P08236 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27432936 0.87 GAA (0.46) GAAALDH1A1KDM4EABL1HSD17B10
SCHEMBL27432938 0.85 ALDH1A1 (0.42) GAAALDH1A1KDM4EABL1HSD17B10
SCHEMBL27433585 0.85 KDM4E (0.42) GAAALDH1A1KDM4EABL1HSD17B10
SCHEMBL8574112 0.85 GAA (0.47) GAAALDH1A1KDM4EABL1HSD17B10
SCHEMBL6826509 0.81 KDM4E (0.56) GAAALDH1A1KDM4EHSD17B10POLB
SCHEMBL613131 0.79 KDM4E (0.47) GAAALDH1A1KDM4EABL1HSD17B10
SCHEMBL8574199 0.75 GAA (0.47) GAAALDH1A1KDM4EABL1HSD17B10
SCHEMBL11651656 0.75 NQO2 (0.49) GAAALDH1A1KDM4EABL1HSD17B10
SCHEMBL17318733 0.75 POLB (0.46) GAAALDH1A1KDM4EHSD17B10POLB
SCHEMBL30892255 0.75 POLB (0.46) GAAALDH1A1KDM4EHSD17B10POLB

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-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 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-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 GAA 2245/4885ALDH1A1 1825/4885KDM4E 3462/4885

“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.