SCHEMBL482871

SCHEMBL482871

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
EGFR P00533 1/20 0.34
AR P10275 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL516907 0.81 KDM4E (0.46) CA2CA12CA1CA9CA14
SCHEMBL29492895 0.81 KDM4E (0.46) CA2CA12CA1CA9CA14
SCHEMBL12301378 0.80 KMT2A (0.44) CYP2C9CYP2C19NPSR1
SCHEMBL28855354 0.79 CA12 (0.50) CA2CA12CA1CA9CA14
SCHEMBL25143250 0.78 EGFR (0.48) CA2CA12CA1CA9CA14
SCHEMBL16138865 0.78 GABRA1 (0.46) CA2CA12CA1CA9CA14
SCHEMBL12458913 0.78 EGFR (0.39) CA2CA12CA1CA9CA14
SCHEMBL519765 0.78 CA2 (0.50) TRPV1CA2CA12CA1CA9
SCHEMBL14785529 0.77 MYC (0.44) CA2CA12CA1CA9CA14
SCHEMBL14966330 0.77 GABRA1 (0.44) CA2CA12CA1CA9CA14

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9714228-B2 Dihydrofuran derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-07-25 US disclosed
US-9714228-B2 Dihydrofuran derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-07-25 US disclosed
EP-2539330-B1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-11-09 EP disclosed
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-20 US disclosed
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-20 US disclosed
WO-2013026724-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
US-20120329769-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-12-27 US disclosed
US-20120329769-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-12-27 US disclosed
EP-2412697-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID COMPOUND Japan Tobacco, Inc. (JP) 2012-02-01 EP disclosed
WO-2011101229-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-08-25 WO disclosed
US-20100286416-A1 PRODUCTION METHOD OF CARBOXYLIC ACID COMPOUND JAPAN TOBACCO INC. (JP) 2010-11-11 US disclosed
US-20100286416-A1 PRODUCTION METHOD OF CARBOXYLIC ACID COMPOUND JAPAN TOBACCO INC. (JP) 2010-11-11 US disclosed
US-20100286416-A1 PRODUCTION METHOD OF CARBOXYLIC ACID COMPOUND JAPAN TOBACCO INC. (JP) 2010-11-11 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 (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-20120329769-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS FOXM1, NDUFC1, H1-0 TRPV1 330/4885CA2 257/4885CA12 3157/4885
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS NQO2, NIT2, QDPR TRPV1 800/4885CA2 397/4885CA12 2888/4885
US-20100286416-A1 PRODUCTION METHOD OF CARBOXYLIC ACID COMPOUND COASY, PCCA, MCCC2 TRPV1 2568/4885CA2 94/4885CA12 69/4885

“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.