SCHEMBL1004368

SCHEMBL1004368

COc1cc(C)cc(OC)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 4/20 0.46
KDM4E B2RXH2 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MKNK2 Q9HBH9 1/20 0.45
CYP3A4 P08684 3/20 0.44
ERN1 O75460 1/20 0.44
TGFBR1 P36897 2/20 0.42
ACVR1 Q04771 2/20 0.42
TSHR P16473 2/20 0.42
APOBEC3A P31941 1/20 0.42
HTT P42858 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
NNMT P40261 1/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL4153927 0.83 CYP3A4 (0.58) SMN1; SMN2ALDH1A1POLBKDM4ECTDSP1
SCHEMBL11850840 0.83 TSHR (0.59) SMN1; SMN2ALDH1A1POLBKDM4ECTDSP1
SCHEMBL24890451 0.83 ACHE (0.48) ACHESMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL5274484 0.81 MAP2K1 (0.48) SMN1; SMN2ALDH1A1POLBKDM4ECTDSP1
SCHEMBL6745474 0.80 CA2 (0.59) ACHESMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL12248741 0.80 CYP3A4 (0.60) ACHESMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL11516098 0.78 ACHE (0.48) ACHESMN1; SMN2ALDH1A1POLBCYP3A4
SCHEMBL8330318 0.78 POLB (0.53) ACHESMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL11855071 0.78 MAPT (0.54) ALDH1A1POLBKDM4ECTDSP1TDP1
SCHEMBL347917 0.76 CYP3A4 (0.51) SMN1; SMN2POLBKDM4EMKNK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e. V. Hans-Knöll-Institut (DE) 2022-11-01 US disclosed
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL-INSTITUT (HKI) (DE) 2020-10-29 US disclosed
WO-2019101679-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL INSTITUT (HKI) (DE) 2019-05-31 WO disclosed
EP-3486229-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e.V. -Hans-Knöll-Institut- (HKI) (DE) 2019-05-22 EP disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
CN-1050128-C 5-amido-1, 2, 4-thiadiazole, preparation and pharmaceutical composition thereof SANOFI ELF (FR) 2000-03-08 CN disclosed
US-5534530-A CHOLECYSTOKININ AGONIST OR ANTAGONIST ELF SANOFI (FR) 1996-07-09 US disclosed
CN-1100724-A 5-amido-1, 2, 4-thiadiazole, preparation and pharmaceutical composition thereof SANOFI ELF (FR) 1995-03-29 CN disclosed
EP-0620221-A1 5-Acylamino-1,2,4-thiadiazoles as cholecystokinine antagonists or agonists ELF SANOFI (FR) 1994-10-19 EP disclosed
US-3931181-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1976-01-06 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 (4 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B ACHE 2404/4885SMN1; SMN2 1017/4885ALDH1A1 1816/4885
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses CBR3, POR, CYP2F1 ACHE 2011/4885SMN1; SMN2 4078/4885ALDH1A1 809/4885
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES CBR3, POR, CYP2F1 ACHE 2011/4885SMN1; SMN2 4078/4885ALDH1A1 809/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B ACHE 2404/4885SMN1; SMN2 1017/4885ALDH1A1 1816/4885

“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.