SCHEMBL1757930

SCHEMBL1757930

COC(=O)C1=NN(Cc2ccccc2)C(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.52
PDE3A Q14432 2/20 0.52
PDE4A P27815 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3B Q13370 1/20 0.52
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
PDE5A O76074 1/20 0.43
MAPK8 P45983 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1757586 0.84 KDM4E (0.48) ALDH1A1KDM4EPOLBHTTMAPK8
SCHEMBL1758094 0.75 PTGDR2 (0.49) PDE4BALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL10080903 0.75 GAA (0.64) ALDH1A1GAATHRBKDM4EHPGD
SCHEMBL1757580 0.73 KDM4E (0.56) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL6738185 0.72 ALDH1A1 (0.46) ALDH1A1GAATHRBKDM4EHPGD
SCHEMBL20488568 0.71 KMT2A (0.44) ALDH1A1KDM4EHPGDMAPK8AR
SCHEMBL1754745 0.71 PGR (0.75) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL27925581 0.70 ALDH1A1 (0.53) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL1758434 0.70 KDM4E (0.72) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL29442778 0.70 RAB9A (0.47) ALDH1A1GAAKDM4EHPGDPOLB

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 PDE4B 1967/4885PDE3A 1134/4885PDE4A 1881/4885

“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.