SCHEMBL15906113

SCHEMBL15906113

COc1ccc(Cc2ccc(F)cc2)cc1-c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.49
PDE4B Q07343 3/20 0.48
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTR7 P34969 4/20 0.44
CASR P41180 2/20 0.43
CA2 P00918 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR3C1 P04150 1/20 0.41

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
SCHEMBL10440169 0.86 HTR7 (0.50) PDE4DPDE4BHPGDSMN1; SMN2TP53
SCHEMBL15906114 0.86 PDE4B (0.43) PDE4DPDE4BHPGDSMN1; SMN2TP53
SCHEMBL17633592 0.85 PDE4D (0.66) PDE4DPDE4BHPGDSMN1; SMN2HTR7
SCHEMBL15906104 0.85 PDE4B (0.46) PDE4DPDE4BHPGDSMN1; SMN2TP53
SCHEMBL15906133 0.85 SMN1; SMN2 (0.46) PDE4BHPGDSMN1; SMN2TP53LMNA
SCHEMBL3796454 0.83 PDE4D (0.47) PDE4DPDE4BHPGDSMN1; SMN2HTR7
SCHEMBL15906167 0.83 PDE4D (0.47) PDE4DPDE4BHPGDSMN1; SMN2TP53
SCHEMBL15906157 0.83 PDE4D (0.48) PDE4DPDE4BHPGDSMN1; SMN2TP53
SCHEMBL15906195 0.83 PDE4D (0.48) PDE4DPDE4BHPGDSMN1; SMN2TP53
SCHEMBL15906108 0.83 PDE4D (0.48) PDE4DPDE4BHPGDSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US 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 (1 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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885PDE4B 2/4885HPGD 806/4885

“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.