SCHEMBL17896221

SCHEMBL17896221

C=C[C@H](Cc1ccccc1)[C@@H](OCC(=C)C)[C@H](C)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.41
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.34
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
PSMB5 P28074 1/20 0.33
TRPA1 O75762 2/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.32
LMNA P02545 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL19758145 0.87 TRPA1 (0.38) MAPTADRA2BADRA2CSLC6A2HTR2A
SCHEMBL17898644 0.83 RCE1 (0.40) RCE1MAPTHTTMMP9MMP8
SCHEMBL17760962 0.79 RCE1 (0.46) RCE1HTTMMP9MMP8SLC6A2
SCHEMBL16594440 0.76 RCE1 (0.36) RCE1MAPTHTTMMP9MMP8
SCHEMBL16593712 0.75 L3MBTL1 (0.41) RCE1SLC6A4PPARGSIGMAR1ALDH1A1
SCHEMBL16593713 0.75 L3MBTL1 (0.41) RCE1SLC6A4PPARGSIGMAR1ALDH1A1
SCHEMBL17896201 0.75 PPARG (0.40) RCE1MAPTSLC6A4SLC6A3PPARG
SCHEMBL17898643 0.75 PPARG (0.41) RCE1PPARGALDH1A1
SCHEMBL17760943 0.72 RCE1 (0.41) RCE1HTTSLC6A4SLC6A3PSMB5
SCHEMBL19725371 0.72 TRPA1 (0.49) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 EP disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 US disclosed
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
EP-3240412-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
EP-3240413-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 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-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 RCE1 387/4885MAPT 1306/4885HTT 3579/4885
US-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 RCE1 387/4885MAPT 1306/4885HTT 3579/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 RCE1 309/4885MAPT 1987/4885HTT 3790/4885

“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.