SCHEMBL2866481

SCHEMBL2866481

CCc1ccc(Oc2cc(C(=O)P(=O)(O)O)ccc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
BLM P54132 1/20 0.41
POLB P06746 2/20 0.40
F2 P00734 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TRPA1 O75762 1/20 0.39
HIF1A Q16665 1/20 0.39
PLK1 P53350 1/20 0.39
SRC P12931 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC22A6 Q4U2R8 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
SCHEMBL2867682 0.87 MAPT (0.46) SMN1; SMN2HSD17B2CYP1A2HSP90AA1HSP90AB1
SCHEMBL2873161 0.77 HSP90AA1 (0.47) CYP2C19CYP1A2HSP90AA1HSP90AB1POLB
SCHEMBL28058311 0.75 MEN1 (0.66) SMN1; SMN2HSD17B2CYP1A2HSP90AA1HSP90AB1
SCHEMBL2872116 0.72 SRD5A2 (0.52) HIF1A
SCHEMBL2872134 0.72 MAPT (0.47) SMN1; SMN2KDM4ENPC1RAB9APLK1
SCHEMBL2867645 0.71 PLK1 (0.42) SMN1; SMN2HSP90AA1POLBNPC1RAB9A
SCHEMBL2869970 0.71 ALDH1A1 (0.47) CYP2C19SMN1; SMN2CYP1A2POLBKDM4E
SCHEMBL2859727 0.70 GSTA1 (0.45) SMN1; SMN2CYP1A2KDM4ENPC1RAB9A
SCHEMBL2867926 0.70 PLK1 (0.49) SMN1; SMN2CYP1A2KDM4ENPC1RAB9A
SCHEMBL2873185 0.69 THRA (0.45) F2ALDH1A1

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 CYP2C19 1871/4885SMN1; SMN2 3235/4885HSD17B2 392/4885

“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.