SCHEMBL4909578

SCHEMBL4909578

O=C(O)/C=C/C(=O)OC(=O)[C@H](O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.54
LMNA P02545 5/20 0.47
MAPK1 P28482 1/20 0.47
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL5798907 1.00 HCAR2 (0.54) HCAR2LMNAMAPK1CES2CES1
SCHEMBL9764591 0.95 LMNA (0.52) HCAR2LMNAMAPK1CES2CES1
SCHEMBL28905351 0.83 LMNA (0.51) HCAR2LMNAMAPK1CYP2D6CYP2C9
SCHEMBL352390 0.81 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
SCHEMBL1951103 0.81 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL4909583 0.77 LMNA (0.78) HCAR2LMNAMAPK1CES2CES1
Mandelic Acid SCHEMBL4909573 0.77 LMNA (0.78) HCAR2LMNAMAPK1CES2CES1
Mandelic Acid SCHEMBL5798900 0.77 LMNA (0.78) HCAR2LMNAMAPK1CES2CES1
SCHEMBL2687707 0.77 LMNA (0.58) LMNAMAPK1CES2CES1HPGD
SCHEMBL378836 0.74 LMNA (0.54) LMNAMAPK1CES2CES1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124404-A1 Hypolipidemic and/or hypocholesteremic compounds obtainable from the goldenseal plant NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-29 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-20080124404-A1 Hypolipidemic and/or hypocholesteremic compounds obtainable from the goldenseal plant LIPA, HMGCR, LCAT HCAR2 149/4885LMNA 2396/4885MAPK1 3441/4885

“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.