SCHEMBL2867141

SCHEMBL2867141

NC(=O)COc1ccc(C=O)cc1Cc1ccc(Oc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ESR1 P03372 2/20 0.44
FFAR4 Q5NUL3 3/20 0.44
FFAR1 O14842 2/20 0.44
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
ICMT O60725 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGER4 P35408 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A9 P48067 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 1/20 0.39

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
SCHEMBL2873201 0.93 ALDH1A1 (0.52) ALDH1A1ESR1KDM4EMEN1KMT2A
SCHEMBL2871384 0.84 TTR (0.44) ALDH1A1ESR1FFAR4FFAR1KDM4E
SCHEMBL2863528 0.84 ESR1 (0.44) ALDH1A1ESR1FFAR4FFAR1PTGER4
SCHEMBL2866399 0.82 FFAR4 (0.41) ALDH1A1ESR1FFAR4FFAR1PLA2G10
SCHEMBL2867491 0.81 ESR1 (0.42) ALDH1A1ESR1FFAR4FFAR1PTGER4
SCHEMBL2863712 0.78 TTR (0.45) ALDH1A1ESR1KDM4EMEN1KMT2A
SCHEMBL2867573 0.76 TTR (0.51) ALDH1A1KDM4ETDP1MAOAMAOB
SCHEMBL2868480 0.75 TTR (0.50) ALDH1A1ESR1TDP1MAOAMAOB
SCHEMBL2868453 0.74 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2872127 0.74 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2

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 ALDH1A1 3773/4885ESR1 105/4885FFAR4 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.