SCHEMBL12355183

SCHEMBL12355183

COC(=O)C1OCC(C)C(OCc2ccccc2)C1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
SLC6A2 P23975 1/20 0.39
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
CYP2C19 P33261 4/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
CYP2C9 P11712 3/20 0.37
CPB1 P15086 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
LGALS8 O00214 1/20 0.36
KLK7 P49862 2/20 0.36
KLK5 Q9Y337 1/20 0.36
BACE1 P56817 1/20 0.35

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
SCHEMBL14478924 0.88 BCHE (0.47) BCHESLC6A2PDPK1MTORCYP2C19
SCHEMBL404009 0.84 BCHE (0.47) BCHESLC6A2CYP2C19ALDH1A1CYP2C9
SCHEMBL14478933 0.84 BCHE (0.47) BCHESLC6A2CYP2C19ALDH1A1CYP2C9
SCHEMBL12355216 0.81 BCHE (0.47) BCHESLC6A2PDPK1MTORCYP2C19
SCHEMBL30039963 0.80 BCHE (0.49) BCHESLC6A2PDPK1MTORCYP2C19
SCHEMBL9567647 0.80 CYP2C19 (0.41) BCHESLC6A2PDPK1MTORCYP2C19
SCHEMBL8719446 0.80 CYP2C19 (0.41) BCHESLC6A2PDPK1MTORCYP2C19
SCHEMBL15883976 0.78 BCHE (0.47) BCHESLC6A2PDPK1MTORCYP2C19
SCHEMBL13295940 0.77 SLC6A2 (0.49) BCHESLC6A2PDPK1MTORCYP2C19
SCHEMBL403757 0.76 BCHE (0.47) BCHESLC6A2PDPK1MTORALDH1A1

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-9163047-B2 Saccharide structures and methods of making and using such structures MOMENTA PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-20140200339-A1 SACCHARIDE STRUCTURES AND METHODS OF MAKING AND USING SUCH STRUCTURES MOMENTA PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-20110201801-A1 SACCHARIDE STRUCTURES AND METHODS OF MAKING AND USING SUCH STRUCTURES MOMENTA PHARAMACEUTICALS, INC. (US) 2011-08-18 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 (2 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-20110201801-A1 SACCHARIDE STRUCTURES AND METHODS OF MAKING AND USING SUCH STRUCTURES FUT6, FUT5, SI BCHE 567/4885SLC6A2 2564/4885PDPK1 4204/4885
US-20140200339-A1 SACCHARIDE STRUCTURES AND METHODS OF MAKING AND USING SUCH STRUCTURES FUT6, FUT5, SI BCHE 567/4885SLC6A2 2564/4885PDPK1 4204/4885

“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.