SCHEMBL87864

SCHEMBL87864

COc1cc(F)c(C=O)cc1OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
PRKDC P78527 2/20 0.47
ERN1 O75460 8/20 0.43
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM1A O60341 1/20 0.40
ACHE P22303 1/20 0.39
NFE2L2 Q16236 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 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
SCHEMBL71268 0.88 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29636410 0.88 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29752019 0.84 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL3463352 0.83 LMNA (0.51) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL660822 0.80 PRKDC (0.77) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL22836211 0.80 PRKDC (0.40) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL14042677 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL7581633 0.80 PPOX (0.42) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL29616028 0.80 PRKDC (0.40) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL28786078 0.80 PRKDC (0.77) ALDH1A1KDM4ETSHRTDP1PRKDC

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 ALDH1A1 1572/4885KDM4E 672/4885TSHR 899/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885KDM4E 645/4885TSHR 1031/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885KDM4E 656/4885TSHR 1209/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885KDM4E 656/4885TSHR 1209/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885KDM4E 645/4885TSHR 1031/4885

“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.