SCHEMBL360471

SCHEMBL360471

Cc1cc(C=O)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
ALDH1A3 P47895 2/20 0.41
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TSHR P16473 1/20 0.36
SRC P12931 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL19823831 0.86 MCL1 (0.38) TDP1ADRB2ADRB1ADRB3MAPT
SCHEMBL27980562 0.84 ALDH1A1 (0.47) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL11960797 0.83 KMT2A (0.40) ALDH1A1MAPTPOLBKDM4ERAB9A
SCHEMBL2011458 0.83 KMT2A (0.40) ALDH1A1MAPTPOLBKDM4ERAB9A
SCHEMBL20379139 0.83 ALDH1A1 (0.41) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL15878940 0.83 ALDH1A3 (0.40) ALDH1A1ALDH1A3AOX1TRIM24HPGD
SCHEMBL3595801 0.83 ALDH1A1 (0.40) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL19695468 0.83 HPGD (0.48) ALDH1A1ALDH1A3AOX1TRIM24HPGD
SCHEMBL14966740 0.82 NFE2L2 (0.47) PTGS2
SCHEMBL497789 0.81 ALDH1A1 (0.59) ALDH1A1AOX1TRIM24HPGDALDH5A1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
EP-3190110-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-07-12 EP disclosed
EP-3190110-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-07-12 EP disclosed
EP-2755969-B1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-01-18 EP disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
US-9078444-B2 Isothiazoline derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-07-14 US disclosed
US-20100279999-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100279999-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100279999-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2238132-A2 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2010-10-13 EP disclosed
WO-2010108733-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-09-30 WO disclosed
WO-2010108733-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-09-30 WO disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 WO disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 WO disclosed
WO-2009080250-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-02 WO disclosed
WO-2009080250-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-02 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 (3 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-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 ALDH1A1 2381/4885ALDH1A3 4249/4885AOX1 3473/4885
US-20100279999-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 ALDH1A1 268/4885ALDH1A3 350/4885AOX1 113/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 ALDH1A1 1908/4885ALDH1A3 3880/4885AOX1 3363/4885

“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.