SCHEMBL3348503

SCHEMBL3348503

CCC(=O)Oc1c(O)cccc1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.55
MAPT P10636 6/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 3/20 0.43
LIG1 P18858 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL29836759 0.85 ALDH1A1 (0.46) ELANEMAPTHTTKMT2AMEN1
SCHEMBL11492171 0.82 HPGD (0.48) MAPTHTTKMT2AMEN1HPGD
SCHEMBL7607994 0.81 ELANE (0.56) ELANEMAPTHTTKMT2AMEN1
SCHEMBL289563 0.81 CA1 (0.47) ELANEMAPTHTTKMT2AMEN1
SCHEMBL302637 0.80 LMNA (0.55) ELANEMAPTHTTKMT2AMEN1
SCHEMBL27485334 0.79 ELANE (0.55) ELANEMAPTHTTKMT2AMEN1
SCHEMBL9396482 0.79 AKR1C3 (0.52) ELANEMAPTHTTKMT2AMEN1
SCHEMBL1683548 0.78 ELANE (0.62) ELANEMAPTKMT2AMEN1HPGD
SCHEMBL2857057 0.78 LMNA (0.54) ELANEMAPTHTTKMT2AMEN1
SCHEMBL6928775 0.78 ELANE (0.56) ELANEMAPTHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883720-B2 Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR AG (CH) 2014-11-11 US disclosed
US-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2011-12-22 US disclosed
WO-2010060479-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-06-03 WO 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-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY CXCL12, CXCR4, CXCR1 ELANE 1342/4885MAPT 3858/4885HTT 1474/4885

“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.