SCHEMBL1328303

SCHEMBL1328303

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc3c(c2)OCO3)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAOB P27338 4/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAOA P21397 2/20 0.40
PIK3CD O00329 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
C5AR1 P21730 1/20 0.38
LMNA P02545 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL1329882 0.89 TSHR (0.48) TSHRKMT2APKMALDH1A1NPC1
SCHEMBL1328092 0.87 KMT2A (0.50) TSHRKMT2APKMALDH1A1NPC1
SCHEMBL1327238 0.85 C5AR1 (0.40) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL1329407 0.85 C5AR1 (0.38) TSHRKMT2ANPC1RAB9AMAPT
SCHEMBL1327672 0.84 C5AR1 (0.39) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1330106 0.84 C5AR1 (0.42) TSHRPKMMAPTSMN1; SMN2C5AR1
SCHEMBL1329454 0.83 FFAR1 (0.38) TSHRMAOBMAPTC5AR1
SCHEMBL1329519 0.83 C5AR1 (0.38) ALDH1A1MAPTSMN1; SMN2C5AR1LMNA
SCHEMBL1329981 0.83 C5AR1 (0.40) TSHRMAPTC5AR1
SCHEMBL1329208 0.83 C5AR1 (0.41) NPC1RAB9AMAPTSMN1; SMN2MAPK1

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 TSHR 231/4885KMT2A 3960/4885PKM 3457/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 TSHR 231/4885KMT2A 3960/4885PKM 3457/4885

“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.