SCHEMBL7044306

SCHEMBL7044306

O=C(CCCc1ccccc1)COC(=O)/C=C/C(=O)OCC(=O)CCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.55
HDAC1 Q13547 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AKR1B10 O60218 4/20 0.49
AKR1B1 P15121 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL28343655 0.82 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL28343245 0.81 TDP1 (0.57) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL355843 0.80 HCAR2 (0.72) HCAR2MAPK1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL355844 0.80 HCAR2 (0.72) HCAR2MAPK1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL8708780 0.80 HCAR2 (0.72) HCAR2MAPK1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL28340752 0.79 HDAC3 (0.51) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL29576563 0.79 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6521049 0.79 HCAR2 (0.50) HCAR2HDAC3AKR1B10AKR1B1TDP1
SCHEMBL5674267 0.78 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6520752 0.77 HCAR2 (0.68) HCAR2MAPK1SMN1; SMN2AKR1B10AKR1B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HCAR2 3143/4885HDAC1 1256/4885HDAC3 2633/4885

“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.