SCHEMBL4452683

SCHEMBL4452683

OCCNc1ccccc1P

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
GLA P06280 2/20 0.49
MAPK1 P28482 2/20 0.44
TOP2B Q02880 1/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 3/20 0.41
POLB P06746 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
NSD2 O96028 2/20 0.40
MITF O75030 1/20 0.40
TTR P02766 1/20 0.40
RAD52 P43351 1/20 0.40
FGB P02675 1/20 0.40

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
SCHEMBL6156472 0.84 KDM4E (0.57) KDM4EGLAMAPK1TOP2BALDH1A1
SCHEMBL2204571 0.76 KDM4E (0.52) KDM4EGLAMAPK1TOP2BALDH1A1
SCHEMBL532717 0.74 RAD52 (0.51) KDM4EGLAMAPK1ALDH1A1GAA
SCHEMBL30128490 0.74 KDM4E (0.49) KDM4EGLAMAPK1TOP2BALDH1A1
SCHEMBL29903457 0.74 KDM4E (0.49) KDM4EGLAMAPK1TOP2BALDH1A1
SCHEMBL18647775 0.74 KDM4E (0.49) KDM4EGLAMAPK1TOP2BALDH1A1
SCHEMBL4629056 0.74 RAB9A (0.51) KDM4EGLAMAPK1ALDH1A1GAA
SCHEMBL5962621 0.74 KDM4E (0.49) KDM4EGLAMAPK1TOP2BALDH1A1
Hydrochloric Acid SCHEMBL7838711 0.74 KDM4E (0.50) KDM4EGLAMAPK1ALDH1A1GAA
SCHEMBL7375160 0.74 KDM4E (0.49) KDM4EGLAMAPK1TOP2BALDH1A1

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-7538228-B2 Oxazoline ligands for asymmetric catalysis THE PENN STATE RESEARCH FOUNDATION (US) 2009-05-26 US disclosed
WO-2005058917-A2 NEW OXAZOLINE LIGANDS FOR ASYMMETRIC CATALYSIS THE PENN STATE RESEARCH FOUNDATION (US) 2005-06-30 WO disclosed
US-20050137403-A1 New oxazoline ligands for asymmetric catalysis THE PENN STATE RESEARCH FOUNDATION 2005-06-23 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-20050137403-A1 New oxazoline ligands for asymmetric catalysis PDXK, WNK1, WNK2 KDM4E 913/4885GLA 4107/4885MAPK1 2089/4885

“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.