SCHEMBL869683

SCHEMBL869683

CC=CCCC=CC(O)CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.63
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.37
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TOP1 P11387 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
GABRR1 P24046 2/20 0.32

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
SCHEMBL12601342 0.83 HDAC2 (0.63) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL4744380 0.82
SCHEMBL667341 0.82
SCHEMBL1226205 0.82
SCHEMBL8254537 0.82
SCHEMBL667905 0.82
SCHEMBL4748348 0.82
SCHEMBL8070201 0.82
SCHEMBL2065565 0.79 HDAC2 (0.63) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL2518292 0.79 HDAC2 (0.63) HDAC2HDAC3HDAC1HDAC8HDAC6

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-20120077722-A1 AMBERGRIS FRAGRANCE SYMRISE AG (DE) 2012-03-29 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-20120077722-A1 AMBERGRIS FRAGRANCE TRPA1, TAS2R31, TAS2R1 HDAC2 1573/4885HDAC3 2420/4885HDAC1 1378/4885

“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.