SCHEMBL6520567

SCHEMBL6520567

C=C(C(=O)O)C(C(=O)O)(C(C)C(=O)OCCCC)C(C)C(=O)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 5/20 0.39
HPGD P15428 2/20 0.39
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR1H2 P55055 1/20 0.31

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
SCHEMBL6525899 0.94 TSHR (0.45) ALDH1A1TSHRHCAR2NPSR1NAAA
SCHEMBL6513669 0.94 TSHR (0.45) ALDH1A1TSHRHCAR2NPSR1NAAA
SCHEMBL6514768 0.91 TSHR (0.36) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL6517090 0.90 HCAR2 (0.33) HCAR2LMNA
SCHEMBL6516645 0.86 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6520315 0.85 THRB (0.33)
SCHEMBL6518789 0.83 ALDH1A1 (0.32) ALDH1A1TSHRMAPTNPC1LMNA
SCHEMBL6515845 0.83 THRB (0.44) ALDH1A1TSHRTDP1
SCHEMBL6524297 0.83 TSHR (0.31) TSHR
SCHEMBL6514845 0.76 SMN1; SMN2 (0.33) SMN1; 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 ALDH1A1 1254/4885TSHR 3581/4885HPGD 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.