SCHEMBL2873161

SCHEMBL2873161

CCc1ccc(Cc2cc(C(=O)P(=O)(O)O)ccc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PLK1 P53350 1/20 0.45
ALDH1A1 P00352 4/20 0.41
SRC P12931 1/20 0.41
HSD17B1 P14061 1/20 0.40
PKM P14618 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
BACE1 P56817 1/20 0.39
TRPA1 O75762 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2859683 0.88 KEAP1 (0.45) HSP90AA1HSP90AB1ALDH1A1PKMHPGD
SCHEMBL27703314 0.86 SLC7A5 (0.36) HSP90AA1HSP90AB1PLK1ALDH1A1PKM
SCHEMBL2866387 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1HSD17B1PKM
SCHEMBL2872134 0.85 MAPT (0.47) PLK1ALDH1A1THRATHRBHPGD
SCHEMBL2871067 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1ALDH1A1PKMLMNA
SCHEMBL2867645 0.85 PLK1 (0.42) HSP90AA1PLK1ALDH1A1POLBALOX15
SCHEMBL2871299 0.85 PLK1 (0.42) HSP90AA1HSP90AB1PLK1PKMSLC7A5
SCHEMBL2868299 0.84 HSP90AA1 (0.46) HSP90AA1HSP90AB1PLK1ALDH1A1SRC
SCHEMBL2865180 0.84 EPHX2 (0.40) HSP90AA1HSP90AB1SRCPKM
SCHEMBL2867926 0.83 PLK1 (0.49) PLK1ALDH1A1THRATHRBCYP1A2

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 HSP90AA1 3896/4885HSP90AB1 3509/4885PLK1 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.