SCHEMBL13764290

SCHEMBL13764290

COC(C)C(=O)OC(CCCCC(C)=O)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
MAPK1 P28482 4/20 0.34
LMNA P02545 4/20 0.34
GMNN O75496 3/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
HSP90AA1 P07900 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1H4 Q96RI1 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP12 P39900 2/20 0.33
LTA4H P09960 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
SCHEMBL12141437 0.95 LMNA (0.34) CYP1A2MAPK1LMNAGMNNMAPT
SCHEMBL13764219 0.89 LMNA (0.36) CYP1A2MAPK1LMNAGMNNMAPT
SCHEMBL12141458 0.88 GABRP (0.33) CYP1A2LMNAPAOX
SCHEMBL13764218 0.85 LMNA (0.35) CYP1A2LMNATSHR
SCHEMBL13764279 0.81 TUBB4A (0.31) LMNAMAPTSMN1; SMN2
SCHEMBL12141453 0.79 ALDH1A1 (0.36) LMNAMAPTSMN1; SMN2
SCHEMBL12141432 0.78 TUBB4A (0.31) LMNA
SCHEMBL13764210 0.74 LMNA (0.36) LMNAMAPTSMN1; SMN2
SCHEMBL12141442 0.73 MMP12 (0.41) LMNAKMT2ASMN1; SMN2MMP12
SCHEMBL13764180 0.73 ALDH1A1 (0.37) LMNATSHRPMP22

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-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
US-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor CANON KABUSHIKI KAISHA (JP) 2008-03-13 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-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor FAR1, ACSL4, ACAD11 CYP1A2 954/4885MAPK1 3262/4885LMNA 4589/4885

“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.