SCHEMBL22734236

SCHEMBL22734236

Cn1ccc(/C=C/C(=O)OC(=O)C(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
POLB P06746 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
JMJD6 Q6NYC1 1/20 0.30
TSHR P16473 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
SCHEMBL21001855 0.88 HDAC1 (0.51) HDAC1HDAC2POLBPTGDR2KDM4E
SCHEMBL22713043 0.81 HDAC1 (0.46) HDAC1HDAC2PTGDR2KDM4EALDH1A1
SCHEMBL20826130 0.80 HDAC1 (0.53) HDAC1HDAC2KDM4EALDH1A1LMNA
SCHEMBL24781662 0.80 HDAC1 (0.50) HDAC1HDAC2POLBPTGDR2KDM4E
SCHEMBL14148933 0.77 CA12 (0.49) HDAC1HDAC2POLBKDM4EALDH1A1
SCHEMBL1124471 0.75 HDAC1 (0.54) HDAC1HDAC2KDM4EALDH1A1LMNA
SCHEMBL23156773 0.75 HDAC1 (0.54) HDAC1HDAC2POLBKDM4EALDH1A1
SCHEMBL1358017 0.75 HDAC1 (0.54) HDAC1HDAC2KDM4EALDH1A1LMNA
SCHEMBL22735021 0.74 HSP90AA1 (0.47) KDM4EALDH1A1
SCHEMBL22734480 0.71 PADI4 (0.34)

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-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 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 (2 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO HDAC1 672/4885HDAC2 316/4885POLB 3663/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 HDAC1 1876/4885HDAC2 1173/4885POLB 3446/4885

“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.