SCHEMBL2867573

SCHEMBL2867573

COCOc1ccc(C=O)cc1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.51
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SRD5A2 P31213 1/20 0.39
FDPS P14324 1/20 0.39
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2863712 0.94 TTR (0.45) TTRRAB9ANPC1TDP1MAOA
SCHEMBL2871384 0.92 TTR (0.44) TTRRAB9ANPC1TDP1MAOA
SCHEMBL2864975 0.90 TTR (0.46) TTRRAB9ANPC1TDP1MAOA
SCHEMBL2868480 0.89 TTR (0.50) TTRRAB9ANPC1TDP1MAOA
SCHEMBL2872088 0.89 RAB9A (0.44) RAB9ANPC1TDP1MAOAMAOB
SCHEMBL2871306 0.87 NPC1 (0.52) RAB9ANPC1TDP1ALDH1A1NPSR1
SCHEMBL2867972 0.85 TACR2 (0.44) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL2867491 0.84 ESR1 (0.42) TTRRAB9ANPC1TDP1MAOA
SCHEMBL2872106 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTSMN1; SMN2FDPS
SCHEMBL2867499 0.83 ALDH1A1 (0.47) RAB9ANPC1TDP1ALDH1A1MAPT

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 TTR 1549/4885RAB9A 2390/4885NPC1 1456/4885

“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.