SCHEMBL97459

SCHEMBL97459

CCOCCOCCNC(=O)/C=C/C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.76
FKBP4 Q02790 2/20 0.76
MEN1 O00255 1/20 0.76
LMNA P02545 1/20 0.76
MAPT P10636 1/20 0.76
KMT2A Q03164 1/20 0.76
THRB P10828 1/20 0.76
ABCB11 O95342 2/20 0.76
ADORA3 P0DMS8 2/20 0.76
MLNR O43193 1/20 0.76
NR1I2 O75469 1/20 0.76
CYP3A4 P08684 1/20 0.76
ADRA2A P08913 1/20 0.76
ADRB3 P13945 1/20 0.76
CYP3A5 P20815 1/20 0.76
TBXA2R P21731 1/20 0.76
CYP3A7 P24462 1/20 0.76
HTR2A P28223 1/20 0.76
HTR2B P41595 1/20 0.76
MTOR P42345 1/20 0.76

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
SCHEMBL173080 0.91 FKBP1A (0.77) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL16907214 0.90 FKBP1A (0.83) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9696444 0.90 FKBP1A (0.84) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9696454 0.90 FKBP1A (0.84) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9696450 0.90 FKBP1A (0.84) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL13817852 0.90 FKBP1A (0.84) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL97452 0.90 FKBP1A (0.86) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL15500726 0.90 FKBP1A (0.86) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL16907205 0.90 FKBP1A (0.86) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL16298793 0.90 FKBP1A (0.85) FKBP1AFKBP4MEN1LMNAMAPT

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-20120058932-A1 ACTIVE INGREDIENT-PEPTIDE CONSTRUCT FOR EXTRACELLULAR CONCENTRATION MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-08 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-20120058932-A1 ACTIVE INGREDIENT-PEPTIDE CONSTRUCT FOR EXTRACELLULAR CONCENTRATION VIP, FIBP, MMP7 FKBP1A 2993/4885FKBP4 3874/4885MEN1 314/4885

“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.