SCHEMBL2868577

SCHEMBL2868577

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.50
THRB P10828 4/20 0.50
BACE1 P56817 1/20 0.45
EGFR P00533 1/20 0.43
TRPA1 O75762 1/20 0.42
PLK1 P53350 1/20 0.41
POLB P06746 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
IDH1 O75874 1/20 0.39
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KLKB1 P03952 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL2869183 0.88 THRA (0.47) THRATHRBBACE1EGFRTRPA1
SCHEMBL2869960 0.86 THRA (0.49) THRATHRBBACE1TRPA1PLK1
SCHEMBL2874053 0.85 THRA (0.52) THRATHRBPLK1
SCHEMBL2869912 0.84 PGK1 (0.51) THRATHRBPLK1ESR1ESR2
SCHEMBL2860980 0.84 THRA (0.41) THRATHRBEGFRESR1ESR2
SCHEMBL2869956 0.83 PLK1 (0.40) THRATHRBPLK1PGK1PGK2
SCHEMBL2859709 0.83 PLK1 (0.40) THRATHRBBACE1PLK1PGK1
SCHEMBL27703305 0.82 EGFR (0.52) THRATHRBBACE1EGFRTRPA1
SCHEMBL2864690 0.81 CA2 (0.45) THRATHRBPLK1CA2CYP2C19
SCHEMBL923601 0.79 BACE1 (0.66) THRATHRBBACE1TRPA1POLB

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.