SCHEMBL2870872

SCHEMBL2870872

CSc1ccc(Cc2cc(C(=O)P(=O)(O)O)ccc2OCCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.37
PDE10A Q9Y233 2/20 0.37
PLK1 P53350 1/20 0.36
SLC6A9 P48067 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGDR Q13258 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
SCD O00767 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ESR1 P03372 1/20 0.33
GCK P35557 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
EDNRB P24530 1/20 0.33

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
SCHEMBL2868458 0.89 THRA (0.38) THRASLC6A9SCDESR1
SCHEMBL2863727 0.84 ESR1 (0.43) THRAPLK1EPHX2NR1H4ESR1
SCHEMBL2873352 0.83 POLB (0.38) THRASLC6A9NR1H4ESR1
SCHEMBL2870973 0.81 SRD5A2 (0.46) THRASLC6A9ESR1
SCHEMBL2868223 0.81 THRA (0.50) THRA
SCHEMBL2871299 0.80 PLK1 (0.42) PLK1TBXA2RPTGER3PTGER2PTGDR
SCHEMBL2871269 0.78 THRA (0.42) THRAPLK1ESR1
SCHEMBL2866510 0.78 THRA (0.44) THRAPLK1ESR1
SCHEMBL2863721 0.77 FFAR4 (0.44) THRASLC6A9ESR1FFAR1FFAR4
SCHEMBL2871495 0.74 GAA (0.42) THRAPLK1

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 THRA 582/4885PDE10A 785/4885PLK1 1962/4885

“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.