SCHEMBL13660494

SCHEMBL13660494

CP(=O)(O)OCCOCCOCCOCCOCCOCCN

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.39
GABBR2 O75899 4/20 0.39
GABBR1 Q9UBS5 4/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.37
THPO P40225 1/20 0.37
LMNA P02545 2/20 0.35
BLM P54132 2/20 0.35
ALDH1A1 P00352 2/20 0.32
GABRR1 P24046 2/20 0.31
PLA2G2D Q9UNK4 1/20 0.31
HPRT1 P00492 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL13000049 1.00 SAT1 (0.39) SAT1GABBR2GABBR1TSHRCYP3A4
SCHEMBL16533835 0.94 PLA2G2C (0.37) SAT1GABBR2GABBR1TSHRCYP3A4
SCHEMBL16815000 0.89 SAT1 (0.45) SAT1TSHRCYP3A4ALDH1A1
SCHEMBL16815001 0.89 SAT1 (0.45) SAT1TSHRCYP3A4ALDH1A1
SCHEMBL16814867 0.89 SAT1 (0.45) SAT1TSHRCYP3A4ALDH1A1
SCHEMBL16815008 0.89 SAT1 (0.45) SAT1TSHRCYP3A4ALDH1A1
SCHEMBL2606244 0.86
SCHEMBL10067773 0.82 SAT1 (0.41) SAT1TSHRCYP3A4ALDH1A1
SCHEMBL5032838 0.82 LPAR3 (0.40) GABBR2GABBR1TSHRCYP3A4ALDH1A1
SCHEMBL20746730 0.82 LPAR3 (0.40) GABBR2GABBR1TSHRCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 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-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 SAT1 1501/4885GABBR2 3935/4885GABBR1 3901/4885

“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.