SCHEMBL17898644

SCHEMBL17898644

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.40
MAPT P10636 2/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
PSMB5 P28074 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
HTT P42858 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAOA P21397 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL17896221 0.83 RCE1 (0.41) RCE1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL17760962 0.79 RCE1 (0.46) RCE1SLC6A2SLC6A4SLC6A3PSMB5
SCHEMBL16593713 0.78 L3MBTL1 (0.41) RCE1SLC6A4SIGMAR1MEN1KMT2A
SCHEMBL16593712 0.78 L3MBTL1 (0.41) RCE1SLC6A4SIGMAR1MEN1KMT2A
SCHEMBL17896201 0.78 PPARG (0.40) RCE1MAPTSLC6A4SLC6A3KMT2A
SCHEMBL17898643 0.75 PPARG (0.41) RCE1KMT2A
SCHEMBL17898733 0.75 RCE1 (0.40) RCE1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL16594242 0.74 SMN1; SMN2 (0.37) SLC6A4HTT
SCHEMBL21440871 0.74 RCE1 (0.48) RCE1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL17760943 0.73 RCE1 (0.41) RCE1SLC6A4SLC6A3PSMB5HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
US-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES 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 (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-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, CYP4F2 RCE1 553/4885MAPT 2077/4885SLC6A2 3110/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS RCE1 372/4885MAPT 1611/4885SLC6A2 4015/4885

“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.