SCHEMBL2860906

SCHEMBL2860906

CCc1ccc(Cc2ccc(OCc3ccccc3)c(Br)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TLR9 Q9NR96 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
PTPN1 P18031 1/20 0.43
FOLH1 Q04609 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR5 P51681 2/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL12772163 0.92 RAB9A (0.56) RAB9ASMN1; SMN2HPGDKDM4ETLR9
SCHEMBL3986458 0.91 RAB9A (0.55) RAB9ASMN1; SMN2HPGDKDM4ETLR9
SCHEMBL1539317 0.87 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2HPGDKDM4ETLR9
SCHEMBL5276838 0.84 RAB9A (0.51) RAB9ASMN1; SMN2HPGDKDM4ETLR9
SCHEMBL2574095 0.83 MAPT (0.48) RAB9ASMN1; SMN2HPGDKDM4EMAPT
SCHEMBL10092244 0.82 RAB9A (0.45) RAB9ASMN1; SMN2HPGDKDM4ETLR9
SCHEMBL9618496 0.82 LTA4H (0.53) RAB9ASMN1; SMN2HPGDMAPTNPC1
SCHEMBL12563216 0.82 RAB9A (0.52) RAB9ASMN1; SMN2HPGDKDM4ETLR9
SCHEMBL3215337 0.81 MAPT (0.42) RAB9ASMN1; SMN2HPGDKDM4ETLR9
SCHEMBL6183033 0.81 MAPT (0.51) RAB9ASMN1; SMN2HPGDKDM4ETLR9

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 RAB9A 2390/4885SMN1; SMN2 3235/4885HPGD 1495/4885

“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.