SCHEMBL3467033

SCHEMBL3467033

COc1ccc(Cc2ccc(C(=O)O)cc2)c(F)c1-c1cccc(C(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
ERN1 O75460 1/20 0.42
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 2/20 0.39
RXRA P19793 1/20 0.39
MEN1 O00255 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3796531 0.91 ERN1 (0.43) ERN1LMNAALDH1A1GAAKMT2A
SCHEMBL3466244 0.91 ERN1 (0.43) ERN1LMNARAB9AALDH1A1GAA
SCHEMBL15906192 0.90 MAOB (0.44) MRGPRX4HTTALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL3796887 0.89 SYK (0.41) MRGPRX4ERN1LMNAALDH1A1GAA
SCHEMBL3467069 0.89 ALDH1A1 (0.38) MRGPRX4ERN1LMNAALDH1A1GAA
SCHEMBL7916951 0.88 ALDH1A1 (0.42) MRGPRX4LMNAMAPK1RAB9AALDH1A1
SCHEMBL8024453 0.88 ALDH1A1 (0.43) LMNARAB9AALDH1A1GAAPPARG
Hydrochloric Acid SCHEMBL10318481 0.88 ALDH1A1 (0.42) MRGPRX4LMNAMAPK1RAB9AALDH1A1
SCHEMBL8067401 0.88 ALDH1A1 (0.42) MRGPRX4LMNAMAPK1RAB9AALDH1A1
SCHEMBL3794567 0.88 ALDH1A1 (0.46) MRGPRX4ERN1LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 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 (2 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B MRGPRX4 837/4885ERN1 3542/4885LMNA 2160/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B MRGPRX4 837/4885ERN1 3542/4885LMNA 2160/4885

“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.