SCHEMBL2908830

SCHEMBL2908830

COc1ccc(I)nc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.43
GAK O14976 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NQO2 P16083 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
S1PR1 P21453 3/20 0.31
S1PR3 Q99500 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4D Q08499 1/20 0.31
NQO1 P15559 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL2907660 0.82 TRPM8 (0.33) TRPM8S1PR1S1PR3
SCHEMBL441334 0.82 KMT2A (0.39) ALDH1A1NQO2KDM4EMAPTATM
SCHEMBL1850824 0.74 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTS1PR1
SCHEMBL2416615 0.73 APP (0.48) ALDH1A1
SCHEMBL2908835 0.73 PDE4B (0.35) KDM4EHPGDPDE4APDE4D
SCHEMBL130142 0.72 NQO2 (0.39) ALDH1A1NQO2KDM4EMAPTNQO1
SCHEMBL30454032 0.72 NQO2 (0.39) ALDH1A1NQO2KDM4EMAPTNQO1
SCHEMBL24156416 0.72 TLR8 (0.34) ALDH1A1MAPTTLR8MCHR1
SCHEMBL11893792 0.72 CSNK2A1 (0.39) MAPTS1PR1S1PR3TLR8MCHR1
SCHEMBL2908833 0.71 FPR2 (0.41) ALDH1A1KDM4EHPGDMAPTATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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 (3 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B TRPM8 3737/4885GAK 498/4885ALDH1A1 418/4885
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B TRPM8 3517/4885GAK 1852/4885ALDH1A1 300/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B TRPM8 3737/4885GAK 498/4885ALDH1A1 418/4885

“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.