SCHEMBL6516024

SCHEMBL6516024

C=C(C(=O)O)C(C)(CC(=O)OCCOCCCCCC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.38
CES2 O00748 2/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.35
HTR2C P28335 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
EPHX2 P34913 1/20 0.33
DNM1 Q05193 1/20 0.33

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
SCHEMBL6523158 0.88 NAAA (0.41) NAAADGKAMEN1THRBHTT
SCHEMBL6518793 0.86 NAAA (0.40) NAAADGKAMEN1KMT2ATSHR
SCHEMBL6515080 0.82 TSHR (0.37) NAAADGKATHRBTSHRHCAR2
SCHEMBL6515939 0.79 NAAA (0.36) NAAADGKAMEN1THRBHTT
SCHEMBL6514774 0.79 NAAA (0.50) NAAADGKATSHRRAD52NPSR1
SCHEMBL6519491 0.78 EPHX2 (0.36) NAAADGKAMEN1THRBHTT
SCHEMBL6518915 0.77 TSHR (0.39) MEN1THRBHTTKMT2AMAPT
SCHEMBL6520521 0.77 NAAA (0.42) NAAADGKAMEN1THRBHTT
SCHEMBL6519429 0.76 TSHR (0.34) NAAADGKATSHRS1PR4S1PR1
SCHEMBL6514935 0.76 ALDH1A1 (0.34) DGKATHRBTSHR

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 NAAA 2110/4885DGKA 3006/4885MEN1 3248/4885

“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.