SCHEMBL69843

SCHEMBL69843

O=C(Oc1ccccc1)C1CCC2OC1CCC2C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.46
ELANE P08246 2/20 0.45
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
SLC6A4 P31645 1/20 0.40
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
NPC1 O15118 1/20 0.38
TFPI2 P48307 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
SCHEMBL3172897 0.85 ELANE (0.53) SLC6A3ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL4631471 0.83 ALDH1A1 (0.52) SLC6A3ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL26261372 0.82 ELANE (0.53) SLC6A3ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL7863531 0.80 ALDH1A1 (0.50) SLC6A3ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL3174235 0.78 ALDH1A1 (0.54) SLC6A3ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL3176400 0.78 SMN1; SMN2 (0.57) SLC6A3ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL22655248 0.77 ALDH1A1 (0.50) SLC6A3ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL15731532 0.77 SLC6A3 (0.49) SLC6A3ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL21879663 0.77 ELANE (0.49) SLC6A3ELANEALDH1A1POLBSMN1; SMN2
SCHEMBL15719798 0.77 SLC6A3 (0.49) SLC6A3ELANEALDH1A1POLBSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 SLC6A3 3908/4885ELANE 4509/4885ALDH1A1 1882/4885

“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.