SCHEMBL2869970

SCHEMBL2869970

CCOc1ccc(CCc2cc(C(=O)P(=O)(O)O)ccc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
CKS1B P61024 1/20 0.47
SKP2 Q13309 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
MAPT P10636 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2872134 0.89 MAPT (0.47) ALDH1A1HPGDALOX15HSD17B10TP53
SCHEMBL2868147 0.86 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10TP53
SCHEMBL2859727 0.80 GSTA1 (0.45) TP53CYP1A2HIF1ANPC1RAB9A
SCHEMBL2867926 0.80 PLK1 (0.49) ALDH1A1HSD17B10CYP1A2HIF1ASLC5A1
SCHEMBL2861309 0.79 THRA (0.43) ALDH1A1HPGDALOX15HSD17B10SLC5A1
SCHEMBL2867682 0.79 MAPT (0.46) ALDH1A1HPGDALOX15HSD17B10TP53
SCHEMBL2870283 0.77 TP53 (0.49) TP53
SCHEMBL2871239 0.77 TP53 (0.49) TP53
SCHEMBL2867645 0.76 PLK1 (0.42) ALDH1A1ALOX15SLC5A1SLC5A2MAPT
SCHEMBL2871495 0.76 GAA (0.42) ALDH1A1SLC5A1SLC5A2RECQLPLK1

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 ALDH1A1 3773/4885HPGD 1495/4885ALOX15 894/4885

“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.