SCHEMBL5482190

SCHEMBL5482190

O=C1Nc2ccc(Cl)cc2C12CCCCC2

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 14/20 0.72
PDE7A Q13946 2/20 0.59
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
IP6K1 Q92551 2/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49
EPHX2 P34913 1/20 0.48

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
SCHEMBL11641485 0.98 PGR (0.71) PGRPDE7APDE4APDE4BPDE4C
SCHEMBL29860221 0.91 PGR (0.69) PGRPDE7AIP6K1IP6K3IP6K2
SCHEMBL26666506 0.91 PGR (0.69) PGRPDE7AIP6K1IP6K3IP6K2
SCHEMBL4715820 0.87 PGR (0.59) PGRPDE7A
SCHEMBL4952486 0.85 PGR (0.58) PGRPDE7AIP6K1IP6K3IP6K2
SCHEMBL11641780 0.85 PGR (0.58) PGRPDE7A
SCHEMBL30701457 0.85 PGR (0.58) PGRPDE7A
SCHEMBL6013866 0.84 PGR (1.00) PGRPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL25355728 0.84 PGR (0.57) PGRPDE7AIP6K1IP6K3IP6K2
SCHEMBL6637484 0.83 PGR (0.54) PGRPDE7APDE4APDE4BPDE4C

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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS PGR 230/4885PDE7A 258/4885PDE4A 316/4885

“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.