SCHEMBL2869960

SCHEMBL2869960

CCc1ccc(Cc2ccc(O)c(CCP(=O)(O)O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
BACE1 P56817 1/20 0.47
TRPA1 O75762 1/20 0.41
POLB P06746 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
IDH1 O75874 1/20 0.38
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 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 0.86 THRA (0.50) THRATHRBBACE1TRPA1POLB
SCHEMBL2868006 0.81 CA2 (0.44) THRATHRBCA2ALOX5
SCHEMBL2869183 0.80 THRA (0.47) THRATHRBBACE1TRPA1POLB
SCHEMBL923601 0.78 BACE1 (0.66) THRATHRBBACE1TRPA1POLB
SCHEMBL283169 0.77 THRA (0.69) THRATHRBBACE1ESR1ESR2
SCHEMBL2871228 0.76 POLB (0.54) THRATHRBBACE1TRPA1POLB
SCHEMBL27703656 0.76 BACE1 (0.44) THRATHRBBACE1TRPA1POLB
SCHEMBL27703305 0.75 EGFR (0.52) THRATHRBBACE1TRPA1POLB
SCHEMBL4963440 0.75 THRA (0.66) THRATHRBBACE1ESR1ESR2
SCHEMBL2868504 0.75 PTGER1 (0.43)

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 THRA 582/4885THRB 544/4885BACE1 2299/4885

“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.