SCHEMBL19714531

SCHEMBL19714531

COc1ccc(COC(C)C(O)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
IDO1 P14902 3/20 0.47
AGXT P21549 2/20 0.47
SLC6A4 P31645 1/20 0.44
CALM1 P0DP23 1/20 0.43
APP P05067 3/20 0.42
HTT P42858 1/20 0.42
LDHA P00338 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 1/20 0.41
MAOB P27338 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
SCHEMBL17901119 1.00 CA1 (0.47) CA1CA2IDO1AGXTSLC6A4
SCHEMBL19725384 0.82 IDO1 (0.50) CA1CA2IDO1AGXTSLC6A4
SCHEMBL7068905 0.82 IDO1 (0.44) CA1CA2IDO1AGXTSLC6A4
SCHEMBL20370148 0.80 RCE1 (0.51) CA1CA2HTT
SCHEMBL13773424 0.80 RCE1 (0.51) CA1CA2HTT
SCHEMBL29127966 0.79 IDO1 (0.47) CA1CA2IDO1AGXTSLC6A4
SCHEMBL14567491 0.78 ALDH1A1 (0.49) CA1CA2IDO1AGXTSLC6A4
SCHEMBL17760946 0.78 RCE1 (0.50) CA1CA2IDO1AGXTSLC6A4
SCHEMBL21440869 0.78 ATM (0.48) CA1CA2POLBSMN1; SMN2AOC3
SCHEMBL28508515 0.78 ATM (0.48) CA1CA2POLBSMN1; SMN2AOC3

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
CN-107205398-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2020-08-21 CN disclosed
EP-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 EP disclosed
US-10188109-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-29 US disclosed
US-20180000084-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC 2018-01-04 US disclosed
US-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-21 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-20170360038-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 CA1 2106/4885CA2 247/4885IDO1 1393/4885
US-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 CA1 2106/4885CA2 247/4885IDO1 1393/4885
US-20180000084-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 CA1 1685/4885CA2 344/4885IDO1 1491/4885

“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.