SCHEMBL70549

SCHEMBL70549

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
MYC P01106 1/20 0.42
KDM4E B2RXH2 7/20 0.41
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.39
FABP4 P15090 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL1766160 0.88 LCK (0.60) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL71552 0.87 ALDH1A1 (0.44) LCKFYNALDH1A1KMT2ARAB9A
SCHEMBL71164 0.82 ALDH1A1 (0.45) LCKFYNALDH1A1KMT2AHTT
SCHEMBL18312021 0.81 LCK (0.56) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL28786056 0.81 LCK (0.77) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL7489023 0.81 ALDH1A1 (0.44) ALDH1A1LMNARAB9AMAPTHPGD
SCHEMBL17700509 0.79 HTT (0.55) LCKFYNALDH1A1HTTMAPK1
SCHEMBL18700941 0.79 HTT (0.55) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL20134845 0.77 LCK (0.45) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL31314518 0.77 HTT (0.62) LCKFYNMEN1KMT2ATSHR

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 LCK 771/4885FYN 754/4885ALDH1A1 1572/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A LCK 759/4885FYN 809/4885ALDH1A1 1357/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A LCK 767/4885FYN 787/4885ALDH1A1 1364/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A LCK 767/4885FYN 787/4885ALDH1A1 1364/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A LCK 759/4885FYN 809/4885ALDH1A1 1357/4885

“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.