SCHEMBL6520565

SCHEMBL6520565

C=C(CC(=O)OC(C)C(=O)OCCCC)C(=O)OC(C)C(=O)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NAAA Q02083 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 4/20 0.33
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX1 P07099 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
SCHEMBL6513678 0.94 TSHR (0.47) TSHRNAAANPSR1FAAHLMNA
SCHEMBL6514764 0.92 MAPT (0.36) TSHRALDH1A1HPGDNPSR1FAAH
SCHEMBL6517087 0.91 MAPK1 (0.31) TSHR
SCHEMBL6516654 0.87
SCHEMBL6520310 0.85 THRB (0.35)
SCHEMBL6518797 0.84 MGAM (0.38) TSHRALDH1A1HPGDL3MBTL1LMNA
SCHEMBL6515864 0.84 THRB (0.46) TSHRALDH1A1L3MBTL1
SCHEMBL6524302 0.83 CA12 (0.31) TSHR
SCHEMBL1656042 0.81 TSHR (0.56) TSHRALDH1A1HPGDATMNPC1
SCHEMBL6514852 0.80 TSHR (0.33) TSHRALDH1A1SMN1; SMN2

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 1254/4885HPGD 4110/4885

“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.