SCHEMBL2863712

SCHEMBL2863712

COCOc1ccc(C=O)cc1Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
ESR1 P03372 1/20 0.43
SLC6A9 P48067 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.40
EGFR P00533 2/20 0.40
ERN1 O75460 1/20 0.40
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 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
SCHEMBL2867573 0.94 TTR (0.51) TTRRAB9ANPC1TDP1ALDH1A1
SCHEMBL2871384 0.94 TTR (0.44) TTRESR1SLC6A9RAB9ANPC1
SCHEMBL2872088 0.85 RAB9A (0.44) RAB9ANPC1TDP1ALDH1A1MAOA
SCHEMBL2867491 0.85 ESR1 (0.42) TTRESR1SLC6A9RAB9ANPC1
SCHEMBL2864975 0.84 TTR (0.46) TTRESR1RAB9ANPC1TDP1
SCHEMBL2871306 0.84 NPC1 (0.52) RAB9ANPC1TDP1ALDH1A1NPSR1
SCHEMBL2863528 0.84 ESR1 (0.44) TTRESR1SLC6A9RAB9ANPC1
SCHEMBL2868480 0.84 TTR (0.50) TTRESR1RAB9ANPC1TDP1
SCHEMBL2867972 0.82 TACR2 (0.44) ESR1RAB9ANPC1TDP1ALDH1A1
SCHEMBL2872106 0.80 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTSMN1; SMN2MEN1

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 1549/4885ESR1 105/4885SLC6A9 3697/4885

“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.