SCHEMBL6523758

SCHEMBL6523758

C=C(CC(=O)OCCOCC)C(=O)OCC(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
ALDH1A1 P00352 5/20 0.34
TSHR P16473 3/20 0.34
EPHX2 P34913 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
EPHX1 P07099 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAAA Q02083 1/20 0.30

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
SCHEMBL6518929 0.90 EPHX2 (0.35) THRBEPHX2KDM4EEPHX1MEN1
SCHEMBL6518206 0.88 ALDH1A1 (0.39) THRBALDH1A1TSHRKDM4EPOLB
SCHEMBL6524359 0.86 EPHX2 (0.39) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL6522614 0.86 NPSR1 (0.32) EPHX2EPHX1
SCHEMBL6516577 0.85 MAPT (0.34) ALDH1A1EPHX1MEN1KMT2A
SCHEMBL6524010 0.84 THRB (0.39) THRBALDH1A1TSHREPHX2KDM4E
SCHEMBL6515576 0.84 MAPT (0.32) ALDH1A1MEN1KMT2A
SCHEMBL27572592 0.82 ALDH1A1 (0.43) THRBALDH1A1TSHREPHX2KDM4E
SCHEMBL6522200 0.81 EPHX2 (0.33) ALDH1A1EPHX2EPHX1
SCHEMBL6514991 0.81 THRB (0.51) THRBALDH1A1TSHREPHX2KMT2A

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 THRB 3136/4885ALDH1A1 1254/4885TSHR 3581/4885

“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.