SCHEMBL17472229

SCHEMBL17472229

CC(=O)NCC1COC(C)(C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.56
▸ NAMPT P43490 3/20 0.45
▸ MTNR1A P48039 1/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ FUCA1 P04066 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ GLA P06280 1/20 0.33
▸ HCRTR2 O43614 3/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL16535894 0.89 CA2 (0.56) CA2NAMPTMTNR1ATMEM97SIGMAR1
SCHEMBL15226041 0.87 CA2 (0.54) CA2NAMPTMTNR1ATMEM97SIGMAR1
SCHEMBL15226040 0.87 CA2 (0.54) CA2NAMPTMTNR1ATMEM97SIGMAR1
SCHEMBL10056019 0.86 CA2 (0.57) CA2NAMPTMTNR1ATMEM97SIGMAR1
SCHEMBL10055651 0.86 CA2 (0.57) CA2NAMPTMTNR1ATMEM97SIGMAR1
SCHEMBL8427932 0.84 CA2 (0.55) CA2NAMPTTMEM97SIGMAR1ALDH1A1
SCHEMBL15548662 0.83 CA2 (0.50) CA2NAMPTMTNR1ATMEM97SIGMAR1
SCHEMBL5160066 0.83 CA2 (0.50) CA2NAMPTMTNR1ATMEM97SIGMAR1
SCHEMBL8970934 0.82 CA2 (0.49) CA2NAMPTTMEM97SIGMAR1ALDH1A1
SCHEMBL8836789 0.82 CA2 (0.49) CA2NAMPTMTNR1ATMEM97SIGMAR1

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-20160024251-A1 THERMORESPONSIVE POLYESTERS THE UNIVERSITY OF AKRON 2016-01-28 — — 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-20160024251-A1 THERMORESPONSIVE POLYESTERS COASY, CD14, NCAPH CA2 2348/4885NAMPT 3632/4885MTNR1A 4489/4885

“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.

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