SCHEMBL4628485

SCHEMBL4628485

COC(=O)COc1ccc(F)cc1Cc1cc(F)ccc1OCC(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
HMGCR P04035 1/20 0.49
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43
APP P05067 1/20 0.43
ELANE P08246 1/20 0.43
PPARD Q03181 2/20 0.42
PTGDR Q13258 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL2945856 0.84 ALDH1A1 (0.58) ALDH1A1MAPTHMGCRLMNAPKM
SCHEMBL5108537 0.83 ALDH1A1 (0.57) ALDH1A1MAPTLMNAPKMKDM4E
SCHEMBL4626659 0.82 PKM (0.66) MAPTPKMELANEPTGDRPTGDR2
SCHEMBL5007334 0.81 PKM (0.69) ALDH1A1MAPTLMNAPKMMEN1
SCHEMBL4627361 0.81 PTGDR (0.58) ALDH1A1MAPTLMNACYP1A2PTGDR
SCHEMBL25337583 0.80 ALDH1A1 (0.54) ALDH1A1MAPTHMGCRLMNAPKM
SCHEMBL11274293 0.80 ALDH1A1 (0.55) ALDH1A1MAPTLMNAPKMMEN1
SCHEMBL16149066 0.80 PKM (0.59) ALDH1A1MAPTHMGCRLMNAPKM
SCHEMBL4627039 0.79 PTGDR2 (0.52) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4517198 0.78 PKM (0.53) ALDH1A1MAPTHMGCRLMNAPKM

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-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US disclosed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 WO 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-20080312322-A1 Organic Compounds NR3C2, MRGPRX2, HRH2 ALDH1A1 1631/4885MAPT 4232/4885HMGCR 2234/4885

“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.