SCHEMBL16631728

SCHEMBL16631728

COC(=O)/C=N/OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.45
HCAR2 Q8TDS4 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NAMPT P43490 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CA12 O43570 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL3127108 0.84 LMNA (0.46) ALDH1A1LMNAHCAR2PPARGPPARA
SCHEMBL9899924 0.83 ALDH1A1 (0.52) ALDH1A1LMNAHCAR2PPARGPPARA
SCHEMBL9899925 0.83 ALDH1A1 (0.52) ALDH1A1LMNAHCAR2PPARGPPARA
SCHEMBL10548239 0.83 ALDH1A1 (0.43) ALDH1A1PKMLMNAPPARGPPARA
SCHEMBL20542646 0.83 LMNA (0.42) ALDH1A1PKMLMNAHCAR2PPARG
SCHEMBL5873410 0.82 HCAR2 (0.49) ALDH1A1PKMLMNAHCAR2PPARG
SCHEMBL7072590 0.82 HCAR2 (0.49) ALDH1A1PKMLMNAHCAR2PPARG
SCHEMBL10746742 0.82 HCAR2 (0.49) ALDH1A1PKMLMNAHCAR2PPARG
SCHEMBL30504788 0.80 MAOB (0.42) ALDH1A1LMNARAB9AKMT2AMEN1
SCHEMBL408179 0.79 PPARG (0.48) ALDH1A1LMNAHCAR2PPARGPPARA

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 ALDH1A1 4189/4885PKM 1269/4885LMNA 776/4885

“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.