SCHEMBL3171231

SCHEMBL3171231

COc1cccc(OC)c1-c1nc2ccc(C(=O)O)cc2n1CCO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 5/20 0.48
▸ PIN1 Q13526 4/20 0.45
▸ PPARG P37231 2/20 0.43
▸ ACSS2 Q9NR19 2/20 0.43
▸ AGTR1 P30556 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ VDR P11473 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL3167934 0.86 PTGER4 (0.49) PTGER4PIN1ACSS2VDRNR1H4
SCHEMBL3183242 0.85 PPARG (0.49) PPARGVDRNR1H4THRB
SCHEMBL3168338 0.83 NR1H4 (0.49) PTGER4PIN1ACSS2VDRNR1H4
SCHEMBL1249925 0.82 DGAT1 (0.47) PIN1ACSS2MAPT
SCHEMBL1251505 0.75 NR1H4 (0.43) PTGER4PIN1AGTR1AGTR2VDR
SCHEMBL3171773 0.75 PTGER4 (0.48) PTGER4PIN1PPARGACSS2NR1H4
SCHEMBL3176844 0.74 PIN1 (0.52) PTGER4PIN1VDRNR1H4
SCHEMBL6170762 0.74 AGTR1 (0.54) ACSS2AGTR1AGTR2
SCHEMBL1249330 0.70 DGAT1 (0.56) ACSS2MAPT
SCHEMBL3175974 0.70 CHEK2 (0.52) PTGER4PPARGVDRNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 — — US disclosed
CN-101600437-A method for preventing or treating myocardial ischemia NOVARTIS AG (CH) 2009-12-09 — — CN disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 — — EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 — — WO disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 — — WO disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO 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-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA PTGER4 2842/4885PIN1 3080/4885PPARG 81/4885

“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.

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