SCHEMBL1327872

SCHEMBL1327872

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C)ccc2C)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 7/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.35
HPGD P15428 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
AKR1C3 P42330 1/20 0.34
S1PR1 P21453 2/20 0.33

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
SCHEMBL1328381 0.92 FFAR4 (0.41) C5AR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2142265 0.91 C5AR1 (0.41) C5AR1MAPTALDH1A1FFAR4HPGD
SCHEMBL1327146 0.90 C5AR1 (0.42) C5AR1SMN1; SMN2ALDH1A1
SCHEMBL1327779 0.90 L3MBTL1 (0.46) C5AR1SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL1328614 0.90 MRGPRX4 (0.40) C5AR1RAB9AMAPTFFAR4FFAR1
SCHEMBL1327830 0.90 MAPT (0.39) C5AR1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1328955 0.90 C5AR1 (0.37) C5AR1SMN1; SMN2MAPTFFAR4FFAR1
SCHEMBL1327952 0.90 KDM4E (0.41) C5AR1SMN1; SMN2MAPTFFAR4FFAR1
SCHEMBL1327763 0.89 FFAR4 (0.41) C5AR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1329312 0.89 C5AR1 (0.40) C5AR1FFAR4FFAR1CYP2C9AKR1C3

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 5 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-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 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 (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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 C5AR1 2/4885NPC1 3535/4885RAB9A 736/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885NPC1 3535/4885RAB9A 736/4885

“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.