SCHEMBL72129

SCHEMBL72129

COC(=O)c1cc(OC(C)C)c(OC(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ULK1 O75385 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
NR1I2 O75469 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STING1 Q86WV6 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ILK Q13418 1/20 0.33
MAPT P10636 1/20 0.33
SCN9A Q15858 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL71552 0.84 ALDH1A1 (0.44) KDM4EKMT2AIRAK4ALDH1A1STING1
SCHEMBL70148 0.83 CA12 (0.40) KDM4EULK1LMNAKMT2APOLB
SCHEMBL20772341 0.83 NR1I2 (0.40) KDM4ELMNAKMT2ANR1I2MEN1
SCHEMBL8066375 0.82 RORC (0.44) KDM4EULK1LMNAALDH1A1KCNQ3
SCHEMBL20775395 0.82 SOS1 (0.40) KDM4ELMNAKMT2ANR1I2MEN1
SCHEMBL26814516 0.82 KDM4E (0.49) KDM4EULK1LMNAPOLBIRAK4
SCHEMBL31424619 0.82 KDM4E (0.49) KDM4EKMT2ANR1I2MEN1PKM
SCHEMBL28411102 0.81 KDM4E (0.36) KDM4ELMNAKMT2ANR1I2MEN1
SCHEMBL72831 0.81 PDE4D (0.48) KMT2AMEN1POLBSCN9A
SCHEMBL13028013 0.79 KDM4E (0.56) KDM4ELMNAKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 US disclosed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US disclosed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 US disclosed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 US disclosed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US disclosed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 US disclosed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 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 (5 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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C KDM4E 672/4885ULK1 4752/4885LMNA 4361/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KDM4E 645/4885ULK1 4757/4885LMNA 4373/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KDM4E 656/4885ULK1 4765/4885LMNA 4271/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KDM4E 656/4885ULK1 4765/4885LMNA 4271/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KDM4E 645/4885ULK1 4757/4885LMNA 4373/4885

“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.