SCHEMBL9103702

SCHEMBL9103702

O=C(O)C(O)c1ccccc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 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
SCHEMBL469655 0.84 CES2 (0.63) CES2CES1LMNAMAPK1MEN1
SCHEMBL30670483 0.84 CES2 (0.63) CES2CES1LMNAMAPK1MEN1
SCHEMBL1671676 0.84 CES2 (0.63) CES2CES1LMNAMAPK1MEN1
SCHEMBL11354965 0.84 CES2 (0.63) CES2CES1LMNAMAPK1MEN1
SCHEMBL2393152 0.84 CES2 (0.46) CES2CES1MAPTNPSR1MEN1
SCHEMBL2391552 0.81 NPSR1 (0.47) CES2CES1MAPTNPSR1MEN1
SCHEMBL11153495 0.80 PTGS2 (0.49) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL9890656 0.80 CES2 (0.42) CES2CES1LMNAMAPTNPSR1
Hydrochloric Acid SCHEMBL27841046 0.79 MEN1 (0.41) CES2CES1MAPTNPSR1MEN1
SCHEMBL4886483 0.79 LMNA (0.50) LMNAMAPK1MEN1KMT2AALDH1A1

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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CES2 1468/4885CES1 610/4885LMNA 3980/4885

“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.