SCHEMBL1757580

SCHEMBL1757580

O=C1CCC(CO)=NN1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 5/20 0.53
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.50
PDE4B Q07343 5/20 0.48
PDE3A Q14432 3/20 0.48
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PGR P06401 1/20 0.48
LMNA P02545 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL1757182 0.81 POLB (0.44) KDM4EALDH1A1PGRLMNAMEN1
SCHEMBL1754745 0.76 PGR (0.75) KDM4EALDH1A1GAATHRBHPGD
SCHEMBL1758434 0.75 KDM4E (0.72) KDM4EALDH1A1GAATHRBHPGD
SCHEMBL1757930 0.73 PDE4B (0.52) KDM4EALDH1A1GAATHRBHPGD
SCHEMBL1757917 0.72 PTGDR2 (0.41) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL1757717 0.72 PTGDR2 (0.56) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL964206 0.69 ALDH1A1 (1.00) KDM4EALDH1A1GAATHRBHPGD
SCHEMBL359249 0.69 ALDH1A1 (0.56) KDM4EALDH1A1GAATHRBHPGD
SCHEMBL359250 0.69 ALDH1A1 (0.56) KDM4EALDH1A1GAATHRBHPGD
SCHEMBL3529328 0.69 ALDH1A1 (0.60) KDM4EALDH1A1GAATHRBHPGD

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
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 KDM4E 4693/4885ALDH1A1 1069/4885GAA 3563/4885

“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.