SCHEMBL2867682

SCHEMBL2867682

CCOc1ccc(Oc2cc(C(=O)P(=O)(O)O)ccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PLK1 P53350 1/20 0.46
PARP10 Q53GL7 1/20 0.44
LTA4H P09960 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B2 P37059 1/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HSP90AA1 P07900 2/20 0.41
CYP1A2 P05177 1/20 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
SCHEMBL2866481 0.87 CYP2C19 (0.42) KDM4EALDH1A1PLK1NPC1RAB9A
SCHEMBL2868147 0.82 ALDH1A1 (0.46) MAPTHPGDKDM4EALOX15ALDH1A1
SCHEMBL2872134 0.80 MAPT (0.47) MAPTHPGDKDM4EALOX15ALDH1A1
SCHEMBL2869970 0.79 ALDH1A1 (0.47) MAPTHPGDKDM4EALOX15ALDH1A1
SCHEMBL2873185 0.77 THRA (0.45) ALDH1A1LTA4H
SCHEMBL28058311 0.75 MEN1 (0.66) MAPTHPGDKDM4EALOX15ALDH1A1
SCHEMBL2874059 0.71 PLK1 (0.40) MAPTALDH1A1PLK1PARP10NPC1
SCHEMBL2861309 0.70 THRA (0.43) MAPTHPGDKDM4EALOX15ALDH1A1
SCHEMBL2867926 0.70 PLK1 (0.49) MAPTKDM4EALDH1A1HSD17B10PLK1
SCHEMBL2859727 0.70 GSTA1 (0.45) KDM4EPLK1NPC1RAB9ATP53

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-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-101072783-A Phosphonic acid derivative and therapeutic agent for disease in which high phosphate level in blood participates KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2007-11-14 CN disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 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 (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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R MAPT 4759/4885HPGD 1495/4885KDM4E 4183/4885

“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.