SCHEMBL3670006

SCHEMBL3670006

O=C(O)c1ccc(CO)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
KIF11 P52732 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RXRA P19793 5/20 0.42
RXRB P28702 5/20 0.42
RXRG P48443 4/20 0.42
ASPH Q12797 1/20 0.42

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
SCHEMBL15276310 0.87 KIF11 (0.47) CES2KIF11CA12CA1CA2
SCHEMBL23370105 0.86 CES2 (0.43) CES2KIF11KDM4EALDH1A1RXRA
SCHEMBL20178562 0.84 ALDH1A1 (0.46) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29338525 0.84 ALDH1A1 (0.46) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3661976 0.84 CES2 (0.44) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2769865 0.82 CA12 (0.48) CES2KIF11CA12CA1CA2
SCHEMBL27847003 0.81 CES2 (0.42) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL25489233 0.81 CES2 (0.42) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28740117 0.80 XDH (0.43) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13598475 0.80 AKR1C2 (0.46) CES2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104177349-A INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC 2014-12-03 CN disclosed
US-20140080877-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2014-03-20 US disclosed
US-20140080877-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2014-03-20 US disclosed
US-20140080877-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2014-03-20 US disclosed
US-8623896-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, LLC (US) 2014-01-07 US disclosed
US-8623896-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, LLC (US) 2014-01-07 US disclosed
US-8623896-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, LLC (US) 2014-01-07 US disclosed
EP-2592079-A2 Insecticidal compounds Syngenta Participations AG. (CH) 2013-05-15 EP disclosed
EP-2592079-A2 Insecticidal compounds Syngenta Participations AG. (CH) 2013-05-15 EP disclosed
EP-2518068-A2 Insecticidal compounds Syngenta Participations AG. (CH) 2012-10-31 EP disclosed
EP-2518068-A2 Insecticidal compounds Syngenta Participations AG. (CH) 2012-10-31 EP disclosed
EP-2238132-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-08-01 EP disclosed
EP-2238132-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-08-01 EP disclosed
CN-101910161-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2010-12-08 CN 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-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 (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-20100279999-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 CES2 1912/4885KIF11 2390/4885CA12 2615/4885
US-20140080877-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 CES2 1909/4885KIF11 2375/4885CA12 2667/4885

“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.