SCHEMBL2863528

SCHEMBL2863528

COCCOc1ccc(C=O)cc1Cc1ccc(Oc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
TTR P02766 1/20 0.44
FFAR4 Q5NUL3 3/20 0.42
FFAR1 O14842 3/20 0.42
SLC6A9 P48067 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FDPS P14324 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
PPARG P37231 1/20 0.39
ERN1 O75460 1/20 0.39
NR3C1 P04150 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
SCHEMBL2868480 0.93 TTR (0.50) ESR1TTRNPC1RAB9ATDP1
SCHEMBL2867491 0.92 ESR1 (0.42) ESR1TTRFFAR4FFAR1SLC6A9
SCHEMBL2871384 0.91 TTR (0.44) ESR1TTRFFAR4FFAR1SLC6A9
SCHEMBL2864975 0.84 TTR (0.46) ESR1TTRNPC1RAB9ATDP1
SCHEMBL2863712 0.84 TTR (0.45) ESR1TTRSLC6A9NPC1RAB9A
SCHEMBL2867141 0.84 ALDH1A1 (0.46) ESR1TTRFFAR4FFAR1SLC6A9
SCHEMBL2867573 0.82 TTR (0.51) TTRNPC1RAB9ATDP1FDPS
SCHEMBL2863686 0.82 ESR1 (0.43) ESR1FFAR4FFAR1SLC6A9NR1H2
SCHEMBL2874065 0.75 ALDH1A1 (0.47) FDPSALDH1A1MAPTHPGD
SCHEMBL2873201 0.75 ALDH1A1 (0.52) ESR1TTRMAOAMAOBALDH1A1

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 ESR1 105/4885TTR 1549/4885FFAR4 1541/4885

“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.