SCHEMBL5384650

SCHEMBL5384650

COC(=O)C(C)Oc1ccc(CN)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KLK7 P49862 1/20 0.39
GAA P10253 2/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL5389865 1.00 ALDH2 (0.43) ALDH2POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL5384644 1.00 ALDH2 (0.43) ALDH2POLBSMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6231515 0.99 ALDH2 (0.42) ALDH2POLBSMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6231512 0.99 ALDH2 (0.42) ALDH2POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL14446992 0.87 L3MBTL1 (0.48) ALDH2POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL5380952 0.85 APP (0.37) POLBSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL5381925 0.85 APP (0.37) POLBSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL5380750 0.82 MAOB (0.42) MAOBDPP4
Hydrochloric Acid SCHEMBL5380755 0.81 MAOB (0.41) MAOBDPP4
Hydrochloric Acid SCHEMBL5380745 0.81 MAOB (0.41) MAOBDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
EP-1373258-B1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-09-28 EP disclosed
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC 2005-03-03 US disclosed
WO-2005007138-A1 PHARMACEUTICAL FORMULATIONS PFIZER PRODUCTS INC. (US) 2005-01-27 WO disclosed
US-6828333-B2 Treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC. 2004-12-07 US disclosed
EP-1373258-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2003-02-06 US disclosed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO 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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D ALDH2 354/4885POLB 2547/4885SMN1; SMN2 3836/4885
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PDE4A, PDE4B, PDE3B ALDH2 781/4885POLB 1988/4885SMN1; SMN2 2619/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B ALDH2 844/4885POLB 2790/4885SMN1; SMN2 2375/4885

“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.