SCHEMBL1329680

SCHEMBL1329680

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc(F)cc2F)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
DCPS Q96C86 1/20 0.40
FFAR1 O14842 2/20 0.39
C5AR1 P21730 4/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
P2RX3 P56373 1/20 0.35
MAPK14 Q16539 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 1/20 0.34
PPARD Q03181 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL1329131 0.92 C5AR1 (0.37) DHFRDCPSC5AR1MAPK14FFAR4
SCHEMBL1329448 0.92 FFAR4 (0.40) DHFRDCPSFFAR1C5AR1FFAR4
SCHEMBL1330568 0.90 C5AR1 (0.42) C5AR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1327998 0.90 MRGPRX4 (0.39) C5AR1P2RX3
SCHEMBL1329172 0.89 FFAR1 (0.39) FFAR1C5AR1FFAR4
SCHEMBL1328510 0.89 ALDH1A1 (0.45) DHFRDCPSFFAR1C5AR1ALDH1A1
SCHEMBL1327730 0.87 C5AR1 (0.42) C5AR1ALDH1A1KMT2AMEN1POLB
SCHEMBL1328741 0.87 C5AR1 (0.38) DHFRDCPSC5AR1HPGD
SCHEMBL1328648 0.87 C5AR1 (0.38) FFAR1C5AR1ALDH1A1L3MBTL1KMT2A
SCHEMBL1328955 0.86 C5AR1 (0.37) FFAR1C5AR1L3MBTL1HPGDP2RX3

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 DHFR 2186/4885DCPS 1136/4885FFAR1 108/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 DHFR 2186/4885DCPS 1136/4885FFAR1 108/4885

“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.