SCHEMBL6518930

SCHEMBL6518930

CCCCCCOCCOC(=O)CC(=C(CC(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMPD1 P17405 3/20 0.39
TP53 P04637 2/20 0.39
NAAA Q02083 1/20 0.39
PLA2G4B P0C869 2/20 0.39
RARB P10826 1/20 0.38
LTB4R Q15722 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL6520827 0.91 TP53 (0.40) TSHRTP53PLA2G4BRARB
SCHEMBL6518850 0.81 TSHR (0.43) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL6523164 0.80 FAAH (0.44) NAAAPLA2G4BFAAH
SCHEMBL6516034 0.79 FAAH (0.43) TSHRNAAAFAAH
SCHEMBL6518857 0.78 FAAH (0.50) NAAAFAAH
SCHEMBL6518844 0.78 FAAH (0.50) NAAAFAAH
SCHEMBL12971537 0.78 NAAA (0.53) NAAAPLA2G4BFAAH
SCHEMBL6518825 0.76 CES2 (0.50) NAAA
SCHEMBL6518869 0.76 ALDH1A1 (0.52) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL22832630 0.76 LMNA (0.65) TSHRALDH1A1LMNATP53CYP3A4

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 TSHR 3581/4885ALDH1A1 1254/4885LMNA 2459/4885

“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.