SCHEMBL1328624

SCHEMBL1328624

CCOc1cccc(OC(C)c2cnc(-c3c(CC)cccc3CC)cc2OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 5/20 0.36
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ROCK2 O75116 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ROCK1 Q13464 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1327067 0.85 RXRA (0.35) ACACBACACARXRARXRBLMNA
SCHEMBL2141330 0.83 ALDH1A1 (0.37) ACACBACACARXRARXRBL3MBTL1
SCHEMBL6515324 0.78 MAPT (0.41) LMNAMAPK1L3MBTL1MAPTMEN1
SCHEMBL1329562 0.77 MEN1 (0.40) LMNAMAPK1MAPTCYP3A4TP53
SCHEMBL1328707 0.76 NPSR1 (0.38) LMNAL3MBTL1MAPTTSHRHTT
SCHEMBL1327286 0.76 DHODH (0.38) LMNAMAPK1L3MBTL1MAPTCYP3A4
SCHEMBL1327217 0.74 KMT2A (0.44) RXRARXRBTP53KMT2ASMN1; SMN2
SCHEMBL1326819 0.74 MAPK1 (0.36) MAPK1L3MBTL1MAPTCYP3A4ROCK2
SCHEMBL1327582 0.74 NPSR1 (0.36) LMNAMAPK1L3MBTL1MAPTKDM4E
SCHEMBL1328717 0.74 C5AR1 (0.37) LMNAMAPK1L3MBTL1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US claimed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 ACACB 4709/4885ACACA 3684/4885RXRA 1166/4885

“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.