SCHEMBL268657

SCHEMBL268657

COC(=O)c1cc(OC(C)OC)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
SIRT6 Q8N6T7 1/20 0.54
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
AKR1C4 P17516 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AR P10275 1/20 0.41
PELP1 Q8IZL8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
VCAM1 P19320 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL3720798 0.90 TDP1 (0.58) TDP1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL19554174 0.86 TDP1 (0.57) TDP1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL10784720 0.85 TDP1 (0.70) TDP1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL268414 0.85 TDP1 (0.62) TDP1SIRT6AKR1C4AKR1C3AKR1C2
SCHEMBL8878937 0.82 TDP1 (0.60) TDP1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL28059438 0.82 ALDH1A1 (0.53) AKR1C3AKR1C2SMN1; SMN2LMNAHPGD
SCHEMBL3471731 0.81 POLB (0.51) TDP1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL18260661 0.80 TDP1 (0.57) TDP1SIRT6AKR1C4AKR1C3AKR1C2
SCHEMBL2724028 0.79 TDP1 (0.62) TDP1SIRT6AKR1C4AKR1C3AKR1C2
SCHEMBL3512673 0.79 TDP1 (0.62) TDP1SIRT6SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 US disclosed
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 EP 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 (2 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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 TDP1 4744/4885SIRT6 1904/4885PDGFRB 500/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 TDP1 4604/4885SIRT6 2238/4885PDGFRB 460/4885

“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.