SCHEMBL2869912

SCHEMBL2869912

CCc1ccc(Cc2ccc(C)c(CP(=O)(O)O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.51
PGK2 P07205 3/20 0.51
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PLK1 P53350 1/20 0.41
SLC5A2 P31639 8/20 0.39
SLC5A1 P13866 2/20 0.39
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F11 P03951 1/20 0.37
SRC P12931 1/20 0.37
ENPP2 Q13822 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL2868577 0.84 THRA (0.50) PGK1PGK2THRATHRBPLK1
SCHEMBL2869956 0.83 PLK1 (0.40) PGK1PGK2THRATHRBPLK1
SCHEMBL2859709 0.83 PLK1 (0.40) PGK1PGK2THRATHRBPLK1
SCHEMBL2864690 0.81 CA2 (0.45) THRATHRBPLK1SLC5A2SLC5A1
SCHEMBL2869183 0.75 THRA (0.47) PGK1PGK2THRATHRBPLK1
SCHEMBL2868572 0.75 KDM4E (0.41) SLC5A2SLC5A1CYP2C19ESR1ESR2
SCHEMBL2863551 0.74 ALPG (0.44) SMN1; SMN2
SCHEMBL2869960 0.74 THRA (0.49) THRATHRBPLK1CYP2C19SMN1; SMN2
SCHEMBL2864769 0.74 SLC5A2 (0.45) PGK1PGK2PLK1SLC5A2SLC5A1
SCHEMBL11304410 0.73 ENPP2 (0.60) PGK1PGK2PLK1CYP2C19SMN1; SMN2

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 PGK1 2426/4885PGK2 1970/4885THRA 582/4885

“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.