SCHEMBL6531441

SCHEMBL6531441

CCCCCCCCOC(=O)C(C)/C(C(=O)O)=C(\C(=O)O)C(C)C(=O)OCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
HCAR2 Q8TDS4 2/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
CES2 O00748 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 2/20 0.42
PAM P19021 1/20 0.42

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
SCHEMBL6518164 1.00 NAAA (0.50) NAAAHCAR2EPHX1TSHRCES2
SCHEMBL6531444 1.00 NAAA (0.50) NAAAHCAR2EPHX1TSHRCES2
SCHEMBL6518156 1.00 NAAA (0.50) NAAAHCAR2EPHX1TSHRCES2
SCHEMBL6520976 0.92 ALDH1A1 (0.48) NAAAHCAR2EPHX1TSHRNPSR1
SCHEMBL6520964 0.92 ALDH1A1 (0.48) NAAAHCAR2EPHX1TSHRNPSR1
SCHEMBL6515494 0.90 CES2 (0.47) NAAAHCAR2EPHX1TSHRCES2
SCHEMBL6515486 0.90 CES2 (0.47) NAAAHCAR2EPHX1TSHRCES2
SCHEMBL26923837 0.86 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL26924856 0.86 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL26922817 0.86 NAAA (0.59) NAAAHCAR2EPHX1TSHRRAD52

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 2110/4885HCAR2 3143/4885EPHX1 558/4885

“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.