SCHEMBL2864646

SCHEMBL2864646

CCc1ccc(Cc2ccc(OC)c(CCl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.43
SLC5A2 P31639 5/20 0.43
SLC5A1 P13866 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TUBB1 Q9H4B7 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL2861283 0.87 SLC5A1 (0.47) CA2GAAALDH1A1SLC5A2SLC5A1
SCHEMBL2872105 0.83 SLC5A1 (0.47) CA2SLC5A2SLC5A1TUBB1AKT1
SCHEMBL5598123 0.82 TTR (0.54) CA2GAAALDH1A1MEN1KMT2A
SCHEMBL30776597 0.82 TTR (0.54) CA2GAAALDH1A1MEN1KMT2A
SCHEMBL20286678 0.82 CA2 (0.63) CA2GAAALDH1A1TUBB1TUBB4A
SCHEMBL2860946 0.79 CCR5 (0.43) GAAMEN1KMT2A
SCHEMBL27296853 0.78 CA2 (0.53) CA2GAAALDH1A1TUBB1TUBB4A
SCHEMBL11289342 0.78 CA2 (0.53) CA2GAAALDH1A1
SCHEMBL2871236 0.77 SLC5A2 (0.42) GAASLC5A2SLC5A1AKT1
SCHEMBL2868572 0.77 KDM4E (0.41) SLC5A2SLC5A1AKT1PTGS2

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 CA2 274/4885GAA 3823/4885ALDH1A1 3773/4885

“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.