SCHEMBL2863727

SCHEMBL2863727

CCOc1ccc(Cc2cc(C(=O)P(=O)(O)O)ccc2OCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
PLK1 P53350 1/20 0.42
SLC5A1 P13866 2/20 0.39
SLC5A2 P31639 2/20 0.39
THRA P10827 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PARP10 Q53GL7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
HTT P42858 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL2871269 0.94 THRA (0.42) ESR1PLK1SLC5A1SLC5A2THRA
SCHEMBL2866510 0.93 THRA (0.44) ESR1PLK1SLC5A1SLC5A2THRA
SCHEMBL2868223 0.89 THRA (0.50) THRATSHR
SCHEMBL2873352 0.87 POLB (0.38) ESR1THRAPARP10POLBNR1H4
SCHEMBL2870973 0.86 SRD5A2 (0.46) ESR1THRA
SCHEMBL2868458 0.85 THRA (0.38) ESR1THRAALDH1A1NPC1RAB9A
SCHEMBL2874059 0.85 PLK1 (0.40) PLK1MAPTALDH1A1NPC1RAB9A
SCHEMBL2870872 0.84 THRA (0.37) ESR1PLK1THRAEPHX2NR1H4
SCHEMBL2872112 0.83 ESR1 (0.42) ESR1PLK1SLC5A1SLC5A2KDM4E
SCHEMBL2872134 0.82 MAPT (0.47) PLK1SLC5A1SLC5A2THRAMAPT

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 ESR1 105/4885PLK1 1962/4885SLC5A1 1236/4885

“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.