SCHEMBL2867491

SCHEMBL2867491

COCOCCOc1ccc(C=O)cc1Cc1ccc(Oc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
TTR P02766 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
FFAR1 O14842 3/20 0.39
SLC6A9 P48067 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
FDPS P14324 1/20 0.38
PPARG P37231 1/20 0.37
MAOA P21397 3/20 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
SCHEMBL2864975 0.93 TTR (0.46) ESR1TTRALDH1A1CYP1A2CYP2D6
SCHEMBL2863528 0.92 ESR1 (0.44) ESR1TTRALDH1A1CYP1A2CYP2D6
SCHEMBL2871384 0.91 TTR (0.44) ESR1TTRALDH1A1FFAR4FFAR1
SCHEMBL2863712 0.85 TTR (0.45) ESR1TTRALDH1A1MAPTSLC6A9
SCHEMBL2868480 0.85 TTR (0.50) ESR1TTRALDH1A1CYP1A2CYP2D6
SCHEMBL2867573 0.84 TTR (0.51) TTRALDH1A1MAPTCYP2C9NPC1
SCHEMBL2871474 0.81 ALDH1A1 (0.48) ESR1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL2867141 0.81 ALDH1A1 (0.46) ESR1TTRALDH1A1MAPTFFAR4
SCHEMBL2859708 0.77 ALDH1A1 (0.47) ALDH1A1MAPTHPGDFDPS
SCHEMBL2872163 0.77 ALDH1A1 (0.47) ALDH1A1MAPTHPGDFDPS

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 1549/4885ALDH1A1 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.