SCHEMBL1328212

SCHEMBL1328212

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc(C(C)(C)c3ccccc3)cc2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.38
KDM4E B2RXH2 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCL1 Q07820 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NR1H4 Q96RI1 2/20 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
SCHEMBL1327833 0.92 C5AR1 (0.39) C5AR1MEN1KMT2AHTTNPC1
SCHEMBL1330106 0.91 C5AR1 (0.42) C5AR1HTTSMN1; SMN2MCL1POLB
SCHEMBL1329423 0.89 C5AR1 (0.39) C5AR1
SCHEMBL1330137 0.89 C5AR1 (0.40) C5AR1HTTMCL1LMNAMAPT
SCHEMBL1329505 0.87 MCL1 (0.39) C5AR1SMN1; SMN2MCL1POLBLMNA
SCHEMBL1329981 0.86 C5AR1 (0.40) C5AR1HTTMAPTHPGDTSHR
SCHEMBL1327238 0.86 C5AR1 (0.40) C5AR1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1327730 0.84 C5AR1 (0.42) C5AR1KDM4EMEN1KMT2AHTT
SCHEMBL1328527 0.84 GABRA1 (0.40) C5AR1MCL1NR1H4
SCHEMBL1327844 0.84 C5AR1 (0.39) C5AR1KDM4ESMN1; SMN2RAB9AALDH1A1

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 C5AR1 2/4885KDM4E 2088/4885MEN1 3563/4885

“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.