SCHEMBL4070142

SCHEMBL4070142

CCOC(=O)c1ccc(C(F)(F)F)nc1COC(C)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 3/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 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
SCHEMBL1201726 0.85 NPC1 (0.37) KDM4EHPGDALDH1A1TUBB4ATUBB
SCHEMBL29929274 0.80 KDM4E (0.40) KDM4EALDH1A1CA12CA1CA2
SCHEMBL4070144 0.80 KDM4E (0.40) KDM4EALDH1A1CA12CA1CA2
SCHEMBL1498432 0.80 KDM4E (0.46) KDM4EHPGDALDH1A1CA12CA1
SCHEMBL1202813 0.79 MAPT (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2098039 0.79 KDM4E (0.45) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL5264347 0.77 TUBB4A (0.45) KDM4EALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL1201584 0.76
SCHEMBL31674128 0.76 SYK (0.43) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL30959064 0.76 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488824-B2 Process for the production of substituted nicotinic acid esters SYNGENTA CROP PROTECTION, INC. (US) 2009-02-10 US disclosed
EP-1601653-B1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED NICOTINIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2009-02-04 EP disclosed
US-20060199964-A1 Process for the production of substituted nicotinic acid esters SYNGENTA CROP PROTECTION, INC. 2006-09-07 US disclosed
EP-1601653-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED NICOTINIC ACID ESTERS Syngenta Participations AG (CH) 2005-12-07 EP disclosed
WO-2004078729-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED NICOTINIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2004-09-16 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 (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-20060199964-A1 Process for the production of substituted nicotinic acid esters CHRM1, CHRM5, CHRNA5 KDM4E 3555/4885HPGD 202/4885ALDH1A1 419/4885

“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.