SCHEMBL267611

SCHEMBL267611

COC(=O)c1cc(OC(C)OC)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 6/20 0.55
GAA P10253 5/20 0.55
HSD17B10 Q99714 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CFTR P13569 3/20 0.50
GLA P06280 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
ABL1 P00519 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NOS2 P35228 1/20 0.39
RAF1 P04049 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
SCHEMBL3720784 0.89 ALDH1A1 (0.57) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL13343583 0.84 ALDH1A1 (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL267307 0.83 KDM4E (0.62) KDM4EALDH1A1GAAHSD17B10MAPT
Hydrochloric Acid SCHEMBL5100210 0.81 ALDH1A1 (0.60) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1795616 0.80 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL3470104 0.79 KDM4E (0.67) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL26800292 0.79 KDM4E (0.57) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL13163935 0.78 KDM4E (0.52) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1438883 0.77 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1026723 0.77 BRAF (0.56) KDM4EALDH1A1GAAHSD17B10MAPT

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 KDM4E 4468/4885ALDH1A1 3022/4885GAA 1336/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 KDM4E 4535/4885ALDH1A1 2872/4885GAA 1640/4885

“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.