SCHEMBL4416402

SCHEMBL4416402

O=C(O)COc1cccc(Cc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.64
PLA2G2A P14555 1/20 0.64
ALOX15 P16050 1/20 0.63
PPARA Q07869 2/20 0.60
PPARG P37231 2/20 0.60
LMNA P02545 1/20 0.60
PTPN7 P35236 1/20 0.57
FFAR1 O14842 3/20 0.56
MAPK1 P28482 1/20 0.54
PTGIR P43119 1/20 0.53
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA9 Q16790 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
PPARD Q03181 1/20 0.49
NR4A2 P43354 1/20 0.49

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
SCHEMBL7049768 0.84 LMNA (0.62) ALOX15PPARAPPARGLMNAPTPN7
SCHEMBL4465276 0.84 LMNA (0.62) PLA2G10PLA2G2AALOX15PPARAPPARG
SCHEMBL20832630 0.84 KMT2A (0.55) PLA2G10PLA2G2APPARAPPARGLMNA
SCHEMBL5004504 0.84 ALOX15 (0.70) ALOX15PPARAPPARGLMNAPTPN7
SCHEMBL2769715 0.83 PPARA (0.74) ALOX15PPARAPPARGLMNAPTPN7
SCHEMBL413254 0.83 LMNA (0.81) ALOX15PPARAPPARGLMNAPTPN7
SCHEMBL22237436 0.83 ALDH1A1 (0.69) PLA2G10PLA2G2APPARG
SCHEMBL2936246 0.83 PPARA (0.60) PLA2G10PLA2G2AALOX15PPARAPPARG
SCHEMBL2774848 0.83 NR4A2 (0.66) ALOX15PPARGLMNAPTPN7FFAR1
SCHEMBL9791647 0.83 PPARA (0.60) PLA2G10PLA2G2AALOX15PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 EP disclosed
US-6291432-B1 (R)-N-(2-METHYLBENZYL)-3-((2S, 3S)-3-(N-(2-CHROMONECARBONYL)-L-ASPARAGINYL)AMINO-2-HYDROXY-4-PHENYLBUTANO YL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE CAN BE GIVEN AS A TYPICAL EXAMPLE OF THIS COMPOUND. JAPAN ENERGY CORPORATION (JP) 2001-09-18 US disclosed
EP-0900566-A1 NOVEL TRIPEPTIDE COMPOUNDS AND ANTI-AIDS DRUGS JAPAN ENERGY CORPORATION (JP) 1999-03-10 EP 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF PLA2G10 3879/4885PLA2G2A 3108/4885ALOX15 4158/4885

“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.