SCHEMBL2867926

SCHEMBL2867926

CCCOc1ccc(Cc2cc(C(=O)P(=O)(O)O)ccc2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.49
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
GSTA1 P08263 3/20 0.43
GSTP1 P09211 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
DHFR P00374 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL2859727 0.95 GSTA1 (0.45) PLK1GSTA1GSTP1LMNARAB9A
SCHEMBL2870283 0.92 TP53 (0.49) GSTA1GSTP1TSHR
SCHEMBL2871239 0.92 TP53 (0.49) GSTA1GSTP1TSHR
SCHEMBL2872134 0.90 MAPT (0.47) PLK1SLC5A1SLC5A2LMNAMAPT
SCHEMBL2861309 0.90 THRA (0.43) PLK1SLC5A1SLC5A2GSTA1GSTP1
SCHEMBL2871495 0.89 GAA (0.42) PLK1SLC5A1SLC5A2GSTA1GSTP1
SCHEMBL2867645 0.85 PLK1 (0.42) PLK1SLC5A1SLC5A2LMNAMAPT
SCHEMBL2873161 0.83 HSP90AA1 (0.47) PLK1LMNATHRATHRBALDH1A1
SCHEMBL2869093 0.82 POLB (0.43) SLC5A1SLC5A2MAPTRAB9ASMN1; SMN2
SCHEMBL2859683 0.81 KEAP1 (0.45) MAPTALDH1A1HSD17B10CYP1A2HIF1A

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 3 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
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 PLK1 1962/4885SLC5A1 1236/4885SLC5A2 1771/4885

“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.