SCHEMBL2863741

SCHEMBL2863741

CCOc1ccc(Cc2cc(C(=O)CP(=O)(O)O)ccc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC5A1 P13866 2/20 0.45
SLC5A2 P31639 2/20 0.45
PLK1 P53350 1/20 0.45
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PARP10 Q53GL7 1/20 0.40
MAOB P27338 1/20 0.40
PTPN1 P18031 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL2868299 0.87 HSP90AA1 (0.46) ALDH1A1HPGDALOX15HSD17B10PLK1
SCHEMBL2872134 0.85 MAPT (0.47) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL2863706 0.81 SLC5A1 (0.49) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL5011691 0.80 SLC5A1 (0.44) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL2874053 0.77 THRA (0.52) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL2859727 0.76 GSTA1 (0.45) KDM4EPLK1NPC1RAB9ALMNA
SCHEMBL2867926 0.76 PLK1 (0.49) ALDH1A1MAPTKDM4EHSD17B10SLC5A1
SCHEMBL2861309 0.76 THRA (0.43) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL2869970 0.75 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL27684412 0.74 SLC5A2 (0.47) ALDH1A1MAPTKDM4EHPGDALOX15

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 ALDH1A1 3773/4885MAPT 4759/4885KDM4E 4183/4885

“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.