SCHEMBL267614

SCHEMBL267614

COC(=O)c1cc(OC)ccc1OCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 5/20 0.47
HSP90AA1 P07900 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
NR4A2 P43354 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL3470112 0.83 KDM4E (0.56) KDM4ECYP1A2CYP2C9CYP2C19MAPT
SCHEMBL23292495 0.83 MAPT (0.58) KDM4ECYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL22176379 0.82 MAPT (0.47) KDM4ECYP1A2CYP2C9CYP2C19MAPT
SCHEMBL16997485 0.82 HSD17B10 (0.49) KDM4ECYP1A2CYP2C9CYP2C19MAPT
SCHEMBL22743806 0.82 SMN1; SMN2 (0.47) KDM4ECYP1A2CYP2C9CYP2C19MAPT
SCHEMBL22175848 0.82 L3MBTL4 (0.51) KDM4ECYP1A2CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL1505031 0.81 ABL1 (0.51) KDM4ECYP1A2CYP2C9CYP2C19MAPT
SCHEMBL24302527 0.81 MAPT (0.49) KDM4ECYP1A2CYP2C9CYP2C19CYP2D6
Methyl 2,5-Dimethoxybenzoate SCHEMBL2091289 0.81 MAPT (0.66) KDM4ECYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL8191837 0.81 KMT2A (0.52) KDM4ECYP1A2CYP2C9CYP2C19CYP2D6

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 4468/4885CYP1A2 1686/4885CYP2C9 1210/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 KDM4E 4535/4885CYP1A2 1669/4885CYP2C9 1401/4885

“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.