SCHEMBL978754

SCHEMBL978754

OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
RECQL P46063 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
SCN4A P35499 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPK1 P28482 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL551186 0.88 LMNA (0.59) LMNARECQLALDH1A1CYP2D6L3MBTL1
SCHEMBL9564637 0.83 LMNA (0.68) LMNARECQLALDH1A1CYP2D6L3MBTL1
SCHEMBL28112525 0.83 CYP4F2 (0.43) LMNAALDH1A1KDM4ETSHRMAPK1
Hydrochloric Acid SCHEMBL8899736 0.81 APP (0.48) LMNAALDH1A1L3MBTL1ADRB2ADRB1
SCHEMBL8901490 0.81 CYP2C9 (0.44) LMNAALDH1A1L3MBTL1MAPTTSHR
SCHEMBL29752747 0.79 TSHR (0.61) ALDH1A1L3MBTL1ADRB3KDM4EMAPT
SCHEMBL668899 0.79 KMT2A (0.48) LMNAALDH1A1KDM4EMAPTTSHR
SCHEMBL15861779 0.78 CYP1A2 (0.51) LMNACYP2D6L3MBTL1KDM4EMAPT
SCHEMBL6395059 0.78 LMNA (0.52) LMNARECQLALDH1A1CYP2D6L3MBTL1
SCHEMBL10476983 0.78 LMNA (0.52) LMNARECQLALDH1A1CYP2D6L3MBTL1

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
EP-2236137-B1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF FATTY LIVER DISEASES ASTELLAS PHARMA INC (JP) 2015-06-24 EP disclosed
US-20110003757-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING FATTY LIVER DISEASE ASTELLAS PHARMA INC. (JP) 2011-01-06 US disclosed
EP-2236137-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF FATTY LIVER DISEASES Astellas Pharma Inc. (JP) 2010-10-06 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-20110003757-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING FATTY LIVER DISEASE SLC5A1, SLC5A2, SLC10A1 LMNA 3041/4885RECQL 4708/4885ALDH1A1 85/4885

“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.