SCHEMBL4388724

SCHEMBL4388724

COc1c(C(=O)Cl)ccc(OC(F)F)c1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE4D Q08499 8/20 0.34
PDE4B Q07343 7/20 0.34
PDE4A P27815 6/20 0.34
PDE4C Q08493 6/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
NR1I2 O75469 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5950136 0.88 MAPT (0.43) L3MBTL1ALDH1A1PDE4DPDE4BPDE4A
SCHEMBL28526123 0.79 HTT (0.39) ALDH1A1MEN1KMT2AMAPTNR1I2
SCHEMBL4126031 0.78 PDE4D (0.61) PDE4DPDE4BPDE4APDE4C
SCHEMBL4286299 0.77 TDP1 (0.33) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1202997 0.77 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7421344 0.76 CA1 (0.36) L3MBTL1ALDH1A1PDE4DPDE4BPDE4A
SCHEMBL27740994 0.73 MAPT (0.54) L3MBTL1ALDH1A1PDE4DPDE4BPDE4A
SCHEMBL29997568 0.69 TDP1 (0.44) ALDH1A1PDE4DMAPTTDP1POLB
SCHEMBL2202238 0.69 TDP1 (0.44) ALDH1A1PDE4DMAPTTDP1POLB
SCHEMBL222062 0.68 MAPT (0.55) L3MBTL1ALDH1A1PDE4DMEN1KMT2A

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-20090171096-A1 Novel process for the preparation of roflumilast NYCOMED GMBH (DE) 2009-07-02 US claimed

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-20090171096-A1 Novel process for the preparation of roflumilast PLAT, VASP, F2R L3MBTL1 4867/4885ALDH1A1 1080/4885PDE4D 27/4885

“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.