SCHEMBL13818299

SCHEMBL13818299

CCCCOCCOCCOCCOCCOCCOCCOCCCSC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CES2 O00748 2/20 0.42
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
RARB P10826 1/20 0.38
ACHE P22303 3/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 2/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL6832395 0.92 CES2 (0.38) TSHRCYP3A4ALDH1A1CES2PTGS2
SCHEMBL12231851 0.92 CYP2C19 (0.43) TSHRCYP3A4ALDH1A1CES2PTGS2
SCHEMBL4473680 0.92 CYP2C19 (0.43) TSHRCYP3A4ALDH1A1CES2PTGS2
SCHEMBL12231848 0.88 ALDH1A1 (0.47) TSHRALDH1A1CES2MEN1THRB
SCHEMBL13079898 0.83 ALDH1A1 (0.45) TSHRALDH1A1CES2THRBHTT
SCHEMBL30917919 0.81 CES2 (0.42) TSHRCES2PTGS2MEN1THRB
SCHEMBL16259206 0.81 CYP2C19 (0.41) CES2ACHECYP2C19ATMPOLB
SCHEMBL2736682 0.80
SCHEMBL5596697 0.80 CYP2C19 (0.38) CES2CYP2C19ATMPOLBBLM
SCHEMBL22278380 0.80 CPB2 (0.39) CYP3A4CES2CYP2C19ATMPOLB

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-7553819-B2 Multivalent inhibitors of serum amyloid P component THERACARB INC. (CA) 2009-06-30 US disclosed
US-20070042936-A1 Multivalent inhibitors of serum amyloid p component THERACARB INC. 2007-02-22 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-20070042936-A1 Multivalent inhibitors of serum amyloid p component IAPP, APP, PRNP TSHR 4583/4885CYP3A4 4758/4885ALDH1A1 2968/4885

“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.