SCHEMBL2870973

SCHEMBL2870973

O=C(c1ccc(OCCO)c(Cc2ccc(Oc3ccccc3)cc2)c1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.46
THRA P10827 1/20 0.41
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP2 P08253 1/20 0.40
CA9 Q16790 1/20 0.40
ESR1 P03372 1/20 0.40
SLC6A9 P48067 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
MAPK14 Q16539 1/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 1/20 0.37
LTA4H P09960 1/20 0.37
MCHR1 Q99705 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
SCHEMBL2863721 0.94 FFAR4 (0.44) SRD5A2THRACA12CA1CA2
SCHEMBL2864817 0.90 SRD5A2 (0.45) SRD5A2THRACA12CA1CA2
SCHEMBL2868576 0.90 SRD5A2 (0.45) SRD5A2THRACA12CA1CA2
SCHEMBL2871484 0.88 SRD5A2 (0.47) SRD5A2CA12CA1CA2MMP2
SCHEMBL2872127 0.87 SMN1; SMN2 (0.46) SRD5A2THRACA12CA1CA2
SCHEMBL2863686 0.86 ESR1 (0.43) SRD5A2THRAESR1SLC6A9PPARG
SCHEMBL2863727 0.86 ESR1 (0.43) THRAESR1
SCHEMBL2873352 0.84 POLB (0.38) THRAESR1SLC6A9MCHR1
SCHEMBL2866399 0.83 FFAR4 (0.41) SRD5A2ESR1SLC6A9PPARGPPARD
SCHEMBL2868223 0.82 THRA (0.50) THRAS1PR1S1PR3

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 SRD5A2 69/4885THRA 582/4885GAA 3823/4885

“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.