SCHEMBL4298649

SCHEMBL4298649

COc1ccc(OCCNc2ccc(OC(=O)C(C)=O)c(C(=O)O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
GCGR P47871 1/20 0.42
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
PPARG P37231 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4302201 0.91 PPARA (0.47) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4299382 0.91 L3MBTL1 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4308419 0.90 KMT2A (0.42) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL4302845 0.88 PPARA (0.47) MAPTSMN1; SMN2MEN1KMT2ANPC1
Methoxymethane SCHEMBL5317742 0.83 CFD (0.46) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Methoxymethane SCHEMBL5319099 0.82 CFD (0.45) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Methoxymethane SCHEMBL5317331 0.82 PPARA (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Methoxymethane SCHEMBL5317705 0.81 KMT2A (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL3419319 0.81 KDM4C (0.50) MTNR1AMTNR1BMAPTALDH1A1SMN1; SMN2
SCHEMBL5316326 0.81 CFD (0.46) MAPTALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same S.H. PHARMA., LTD. (KR) 2011-03-10 US claimed
WO-2009108017-A2 NEW PYRUVATE DERIVATIVES WITH NEUROPROTECTIVE EFFECT, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME S.H. PHARMA., LTD (KR) 2009-09-03 WO claimed
US-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same S.H. PHARMA., LTD. (KR) 2011-03-10 US disclosed
WO-2009108017-A2 NEW PYRUVATE DERIVATIVES WITH NEUROPROTECTIVE EFFECT, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME S.H. PHARMA., LTD (KR) 2009-09-03 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-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same PC, PDK1, PDK2 MTNR1A 1946/4885MTNR1B 2022/4885MAPT 155/4885

“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.