SCHEMBL8403345

SCHEMBL8403345

CCCOc1ccc([C@H](C)C(=O)N2CCCC[C@H]2C(=O)OCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
FKBP1A P62942 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSP90AA1 P07900 1/20 0.44
ACACB O00763 3/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ACACA Q13085 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER4 P35408 1/20 0.41

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
SCHEMBL9727480 0.87 FKBP1A (0.49) FKBP1AALDH1A1GAAKDM4EMEN1
SCHEMBL9727499 0.82 FKBP1A (0.46) FKBP1AALDH1A1GAAKDM4EMEN1
SCHEMBL8403357 0.80 FKBP1A (0.61) FKBP1A
SCHEMBL10110911 0.80 FKBP1A (0.61) FKBP1A
SCHEMBL14922422 0.80 FKBP1A (0.61) FKBP1A
SCHEMBL9727462 0.79 FKBP1A (0.48) FKBP1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL13981344 0.75 FKBP1A (0.59) FKBP1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL9727299 0.75 FKBP1A (0.48) FKBP1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL9727452 0.73 TSHR (0.50) FKBP1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL9727251 0.73 ALDH1A1 (0.45) FKBP1AALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8106191-B2 Compounds based on N- acyl-pipecolyl and N-acyl-prolyl ligand moieties for multimerizing chimeric proteins containing immunophilin-derived domains ARIAD PHARMACEUTICALS, INC. (US) 2012-01-31 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-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 L3MBTL1 788/4885FKBP1A 4/4885ALDH1A1 4766/4885

“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.