SCHEMBL15906186

SCHEMBL15906186

COc1ccc(Cc2ccccc2CN)cc1-c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
PDE4D Q08499 1/20 0.44
HTR7 P34969 5/20 0.41
HTR2C P28335 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL15906112 0.88 TP53 (0.45) TP53SMN1; SMN2HPGDLMNATSHR
SCHEMBL15906170 0.85 HTR2C (0.46) TP53SMN1; SMN2HPGDLMNATSHR
SCHEMBL15906168 0.85 HDAC4 (0.45) TP53SMN1; SMN2HPGDLMNATSHR
SCHEMBL15906195 0.85 PDE4D (0.48) TP53SMN1; SMN2HPGDLMNATSHR
SCHEMBL8066925 0.83 PDE4D (0.48) SMN1; SMN2LMNATSHRPDE4DHTR7
SCHEMBL15906180 0.82 PDE4D (0.42) TP53SMN1; SMN2HPGDLMNATSHR
SCHEMBL13578467 0.82 PDE4D (0.42) PDE4DHTR7ALOX5GABRA1CNR2
SCHEMBL10440639 0.82 PDE4D (0.46) SMN1; SMN2PDE4DMEN1ALDH1A1KMT2A
SCHEMBL15906121 0.80 PDE4D (0.47) TP53SMN1; SMN2HPGDLMNATSHR
SCHEMBL15906113 0.78 PDE4D (0.49) TP53SMN1; SMN2HPGDLMNATSHR

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 TP53 4860/4885SMN1; SMN2 869/4885HPGD 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.